UCSF

ZINC45190390

Substance Information

In ZINC since Heavy atoms Benign functionality
July 27th, 2010 26 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) 5.46 13.41 -111.12 3 2 2 21 370.503 7
Hi High (pH 8-9.5) 5.46 12.04 -37.81 2 2 1 16 369.495 7

Activity (Go SEA)

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