UCSF

ZINC04058553

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2005 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) 1.52 4.35 -43.92 0 4 -1 53 169.167 0
Mid Mid (pH 6-8) 1.52 4.61 -15.66 1 4 0 54 170.175 0

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4011081; US4207103 IBM Patent Data

Activity (Go SEA)

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