UCSF

ZINC06556961

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2006 21 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) 3.05 6.27 -8.63 1 3 0 41 296.395 1
Mid Mid (pH 6-8) 3.05 7.14 -29.47 2 3 1 43 297.403 1

Activity (Go SEA)

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