UCSF

ZINC33699892

Substance Information

In ZINC since Heavy atoms Benign functionality
July 16th, 2009 25 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) 5.08 7.03 -31.45 0 3 -1 48 402.723 5
Mid Mid (pH 6-8) 5.08 6.96 -9.62 1 3 0 46 403.731 5

Activity (Go SEA)

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