UCSF

ZINC45663679

Substance Information

In ZINC since Heavy atoms Benign functionality
August 2nd, 2010 18 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) 1.64 5.94 -110.7 4 3 2 35 251.418 8
Hi High (pH 8-9.5) 1.64 7.55 -102.4 4 3 2 35 251.418 8
Hi High (pH 8-9.5) 1.64 3.48 -46.85 3 3 1 34 250.41 8

Activity (Go SEA)

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