UCSF

ZINC37219884

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 21 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) 2.84 8.47 -94.77 3 3 2 24 291.483 6
Mid Mid (pH 6-8) 2.84 10.54 -185.35 4 3 3 25 292.491 6
Mid Mid (pH 6-8) 2.84 10.91 -83.38 3 3 2 21 291.483 6

Activity (Go SEA)

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