UCSF

ZINC42604550

Substance Information

In ZINC since Heavy atoms Benign functionality
April 30th, 2010 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) 1.46 9.68 -16.37 0 5 0 51 320.396 5
Mid Mid (pH 6-8) 1.46 10.12 -33.42 1 5 1 52 321.404 5

Activity (Go SEA)

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