UCSF

ZINC02867397

Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 28 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) 0.71 -6.03 -39.38 2 10 1 100 390.468 5
Mid Mid (pH 6-8) 0.71 -5.77 -85.52 3 10 2 101 391.476 5

Activity (Go SEA)

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