UCSF

ZINC20253339

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 18 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) 1.83 6.27 -37.22 2 3 1 29 268.45 6
Mid Mid (pH 6-8) 1.83 7.7 -105.74 3 3 2 34 269.458 6

Activity (Go SEA)

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