UCSF

ZINC06753150

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2006 22 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) 4.41 11.12 -10.18 0 3 0 27 292.382 6
Lo Low (pH 4.5-6) 4.41 11.79 -27.63 1 3 1 28 293.39 6

Activity (Go SEA)

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