UCSF

ZINC41690165

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 20 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) 1.63 4.64 -33.43 2 4 1 37 285.452 6
Mid Mid (pH 6-8) 1.63 2.36 -4.35 1 4 0 36 284.444 6

Activity (Go SEA)

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