UCSF

ZINC43972012

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 18 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) 3.20 9.85 -30.62 2 2 1 16 247.406 7
Mid Mid (pH 6-8) 3.20 9.27 -108.04 3 2 2 21 248.414 7

Activity (Go SEA)

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