UCSF

ZINC06622548

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2006 25 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) 1.55 1.53 -15.49 1 7 0 97 339.303 5
Mid Mid (pH 6-8) 0.96 1.35 -20.41 0 7 0 93 339.303 5

Activity (Go SEA)

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