UCSF

ZINC20481791

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 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) 0.42 5.96 -52.6 2 6 -1 98 280.348 9
Mid Mid (pH 6-8) 0.42 6.48 -68.07 3 6 0 99 281.356 9
Mid Mid (pH 6-8) 0.42 7.19 -63.4 2 6 -1 98 280.348 9

Activity (Go SEA)

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