UCSF

ZINC42477990

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 19 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) 1.17 3.91 -104.9 5 4 2 65 259.353 5
Hi High (pH 8-9.5) 1.17 3.48 -47.19 4 4 1 64 258.345 5
Hi High (pH 8-9.5) 1.17 3.53 -28.67 4 4 1 64 258.345 5

Activity (Go SEA)

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