UCSF

ZINC20725321

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 2008 24 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) 2.89 6.47 -33.42 2 4 1 37 337.528 7
Mid Mid (pH 6-8) 2.89 4.11 -3.49 1 4 0 36 336.52 7

Activity (Go SEA)

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