UCSF

ZINC05285000

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2006 15 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) 2.68 6.6 -8.44 1 2 0 29 205.301 4

Activity (Go SEA)

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