UCSF

ZINC06306548

Substance Information

In ZINC since Heavy atoms Benign functionality
March 18th, 2006 21 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) 5.65 12.46 -7.25 0 2 0 18 284.447 5
Mid Mid (pH 6-8) 5.65 12.86 -27.13 1 2 1 19 285.455 5

Activity (Go SEA)

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