UCSF

ZINC19943030

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2008 20 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) 2.72 7.98 -37.73 2 4 1 43 279.404 10
Mid Mid (pH 6-8) 2.72 6.91 -52.11 2 4 1 46 279.404 10

Activity (Go SEA)

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