UCSF

ZINC20189199

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 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) 2.58 2.85 -35.48 4 4 1 57 279.404 4
Mid Mid (pH 6-8) 2.59 1.38 -38.3 4 4 1 60 279.404 4
Lo Low (pH 4.5-6) 2.59 3.71 -107.77 5 4 2 61 280.412 4

Activity (Go SEA)

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