UCSF

ZINC40474043

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 18 No

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) -0.84 4.16 -57.38 2 6 1 78 253.326 6
Hi High (pH 8-9.5) -0.84 1.96 -25.25 1 6 0 76 252.318 6

Activity (Go SEA)

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