UCSF

ZINC42469016

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) 1.52 8.1 -39.08 1 3 1 31 240.348 7
Mid Mid (pH 6-8) 1.52 5.86 -5.23 0 3 0 30 239.34 7

Activity (Go SEA)

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