UCSF

ZINC04900700

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 29 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) 3.30 -4.23 -21.87 1 7 0 84 412.515 6
Mid Mid (pH 6-8) 3.30 -4.05 -35.02 2 7 1 85 413.523 6

Activity (Go SEA)

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