UCSF

ZINC20248865

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 2.59 5.54 -15.34 1 4 0 47 268.316 4
Mid Mid (pH 6-8) 2.59 5.94 -34 2 4 1 49 269.324 4

Activity (Go SEA)

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