UCSF

ZINC42461258

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 13 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 6.17 -35.35 1 3 1 41 176.243 3
Mid Mid (pH 6-8) 1.67 5.82 -7.23 0 3 0 40 175.235 3

Activity (Go SEA)

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