UCSF

ZINC06794974

Substance Information

In ZINC since Heavy atoms Benign functionality
April 25th, 2006 31 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) 5.46 17.38 -48.58 1 6 1 51 413.549 3
Mid Mid (pH 6-8) 5.46 17.27 -14.63 0 6 0 50 412.541 3

Activity (Go SEA)

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