UCSF

ZINC40806687

Substance Information

In ZINC since Heavy atoms Benign functionality
April 12th, 2010 18 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) 1.03 0.87 -54.1 5 5 1 86 256.37 5
Mid Mid (pH 6-8) 1.03 0.95 -10.98 4 5 0 84 255.362 5

Activity (Go SEA)

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