UCSF

ZINC39952020

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2010 28 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) 4.67 8.79 -51.16 2 7 1 72 390.504 7
Hi High (pH 8-9.5) 4.67 5.8 -10.93 1 7 0 71 389.496 7

Activity (Go SEA)

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