UCSF

ZINC34673883

Substance Information

In ZINC since Heavy atoms Benign functionality
September 19th, 2009 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) 0.80 4 -40.86 2 4 1 52 246.334 3
Mid Mid (pH 6-8) 0.80 1.61 -7.44 1 4 0 50 245.326 3

Activity (Go SEA)

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