UCSF

ZINC40511308

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2010 19 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) 1.70 3.37 -11.25 1 6 0 76 292.401 7
Hi High (pH 8-9.5) 1.70 3.53 -42.76 0 6 -1 78 291.393 7

Activity (Go SEA)

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