UCSF

ZINC48040187

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2010 21 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) 2.31 3.87 -11.79 2 5 0 60 294.395 8
Mid Mid (pH 6-8) 2.31 5.23 -51.48 3 5 1 64 295.403 8

Activity (Go SEA)

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