UCSF

ZINC06732147

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2006 11 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) 0.20 1.83 -8.84 1 3 0 42 150.181 2
Lo Low (pH 4.5-6) 0.20 2.11 -40.73 2 3 1 43 151.189 2

Activity (Go SEA)

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