UCSF

ZINC42079232

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2010 20 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) 1.58 7.89 -37.21 1 4 1 44 344.204 5
Hi High (pH 8-9.5) 1.58 5.82 -5.25 0 4 0 42 343.196 5

Activity (Go SEA)

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