UCSF

ZINC40539035

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 22 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) 2.10 8.7 -13.42 1 5 0 60 296.305 3
Lo Low (pH 4.5-6) 2.10 9.17 -34.22 2 5 1 61 297.313 3

Activity (Go SEA)

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