UCSF

ZINC42270732

Substance Information

In ZINC since Heavy atoms Benign functionality
April 26th, 2010 17 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) 0.30 1.61 -17.08 4 6 0 91 238.291 5
Mid Mid (pH 6-8) -0.14 0.32 -57.04 4 6 1 89 239.299 5

Activity (Go SEA)

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