UCSF

ZINC06696911

Substance Information

In ZINC since Heavy atoms Benign functionality
April 16th, 2006 17 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) 1.62 8.19 -35.74 2 3 1 34 228.319 5
Mid Mid (pH 6-8) 1.62 8.67 -100.75 3 3 2 36 229.327 5

Activity (Go SEA)

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