UCSF

ZINC05349108

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 24 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) 3.38 8.89 -13.4 1 4 0 43 322.408 5
Mid Mid (pH 6-8) 3.45 7.58 -34.86 2 4 1 48 323.416 5

Activity (Go SEA)

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