UCSF

ZINC42449258

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 14 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) 0.31 2.39 -44.06 3 3 1 44 197.302 5
Mid Mid (pH 6-8) 0.31 4.37 -108.98 4 3 2 45 198.31 5

Activity (Go SEA)

Rings

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