UCSF

ZINC05686026

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 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) 3.99 7.33 -14.71 1 4 0 60 296.322 3
Hi High (pH 8-9.5) 3.99 8.12 -42.4 0 4 -1 63 295.314 3

Activity (Go SEA)

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