UCSF

ZINC06693665

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2006 15 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) 2.43 3.77 -8.05 1 4 0 55 228.317 6
Mid Mid (pH 6-8) 2.89 1.85 -47.01 0 4 -1 58 227.309 6

Activity (Go SEA)

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