UCSF

ZINC06728104

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 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) 5.59 12.54 -5.52 1 2 0 29 379.301 3
Mid Mid (pH 6-8) 5.59 12.42 -6.14 1 2 0 29 379.301 3
Mid Mid (pH 6-8) 5.59 12.97 -30.44 2 2 1 30 380.309 3

Activity (Go SEA)

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