UCSF

ZINC20931179

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 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) 3.87 9.85 -50 2 3 1 35 300.422 8
Hi High (pH 8-9.5) 3.87 8.44 -7.1 1 3 0 30 299.414 8

Activity (Go SEA)

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