UCSF

ZINC39295006

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 26 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) 0.18 11 -99.34 2 6 0 82 359.401 3
Mid Mid (pH 6-8) -2.56 8.99 -79.44 3 6 1 85 360.409 2

Activity (Go SEA)

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