UCSF

ZINC45966851

Substance Information

In ZINC since Heavy atoms Benign functionality
August 6th, 2010 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) 0.86 5.14 -14.86 1 6 0 62 412.328 8
Mid Mid (pH 6-8) 0.86 6.44 -53.84 2 6 1 66 413.336 8

Activity (Go SEA)

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