UCSF

ZINC33268863

Substance Information

In ZINC since Heavy atoms Benign functionality
May 27th, 2009 30 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) 2.98 5.39 -12.75 0 8 0 75 413.522 6
Mid Mid (pH 6-8) 2.98 7.71 -53.67 1 8 1 76 414.53 6

Activity (Go SEA)

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