UCSF

ZINC44660187

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 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) 2.36 8.39 -33.46 2 2 1 20 245.39 2
Mid Mid (pH 6-8) 2.36 8.9 -97.12 3 2 2 21 246.398 2

Activity (Go SEA)

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