UCSF

ZINC42775921

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 19 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) 3.86 8.05 -7.29 0 2 0 20 383.151 6
Mid Mid (pH 6-8) 3.86 9.95 -41.31 1 2 1 22 384.159 6

Activity (Go SEA)

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