UCSF

ZINC05339950

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2006 25 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) 4.43 9.87 -13.71 1 4 0 59 345.427 5
Mid Mid (pH 6-8) 3.53 9.45 -43.07 1 4 1 57 346.435 5
Mid Mid (pH 6-8) 3.53 9.44 -43.09 1 4 1 57 346.435 5

Activity (Go SEA)

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