UCSF

ZINC42947277

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 15 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) 0.52 5.68 -49.21 3 4 1 58 223.687 3
Hi High (pH 8-9.5) 0.52 4.99 -7.67 2 4 0 57 222.679 3

Activity (Go SEA)

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