UCSF

ZINC45685608

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 21 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) 1.67 4 -39.39 2 5 1 48 299.435 2
Lo Low (pH 4.5-6) 1.67 5.64 -115.1 3 5 2 49 300.443 2

Activity (Go SEA)

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