UCSF

ZINC01542916

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.04 2.16 -51.27 1 6 -1 87 256.257 5
Ref Reference (pH 7) 1.66 -0.43 -39.23 2 6 0 92 257.265 6
Mid Mid (pH 6-8) 1.58 4.89 -15.64 2 6 0 84 257.265 5
Mid Mid (pH 6-8) 1.66 -0.97 -47.63 1 6 -1 91 256.257 6
Lo Low (pH 4.5-6) 1.21 2.02 -45.03 3 6 1 89 258.273 6

Vendor Notes

Note Type Comments Provided By
Target Antimetabolites Selleck Chemicals
Therapy antineoplastic SMDC Iconix
PUBCHEM_SUBSTANCE_COMMENT NCC_SAMPLE_SUPPLIER : Sequoia Research Products Ltd.; NCC_SUPPLIER_STRUCTURE_ID : SRP01460c NIH Clinical Collection via PubChem
PUBCHEM_SUBSTANCE_COMMENT SAMPLE_SUPPLIER: Sequoia Research Products Ltd.; SUPPLIER_STRUCTURE_ID: SRP01460c NIH Clinical Collection via PubChem

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )