UCSF

ZINC33669582

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2009 32 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) 3.09 8.05 -21.78 1 8 0 84 434.496 8
Lo Low (pH 4.5-6) 3.09 8.42 -48.04 2 8 1 85 435.504 8

Activity (Go SEA)

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