UCSF

ZINC30908731

Substance Information

In ZINC since Heavy atoms Benign functionality
April 4th, 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) 0.85 6.25 -42.49 2 4 1 48 246.334 3
Hi High (pH 8-9.5) 0.85 4.98 -10.12 1 4 0 43 245.326 3

Activity (Go SEA)

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