UCSF

ZINC01387014

Substance Information

In ZINC since Heavy atoms Benign functionality
August 16th, 2004 13 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.55 7.01 -6.36 0 3 0 27 174.203 3
Mid Mid (pH 6-8) 1.55 7.51 -34.78 1 3 1 28 175.211 3

Vendor Notes

Note Type Comments Provided By
melting_point Oil KeyOrganics

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.