UCSF

ZINC05734433

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2006 19 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) 2.15 6.51 -42.25 0 5 -1 80 259.237 0
Mid Mid (pH 6-8) 2.15 5.68 -16.31 1 5 0 77 260.245 0

Activity (Go SEA)

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