UCSF

ZINC45647359

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 16 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) 2.50 4.1 -49.89 4 3 1 57 225.356 5
Hi High (pH 8-9.5) 2.50 3.87 -6.12 3 3 0 55 224.348 5

Activity (Go SEA)

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