UCSF

ZINC42452836

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 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) 0.54 2.12 -34.26 5 5 1 88 251.354 6
Mid Mid (pH 6-8) 0.54 2.28 -7.66 4 5 0 86 250.346 6
Lo Low (pH 4.5-6) 0.54 2.65 -82.71 6 5 2 89 252.362 6

Activity (Go SEA)

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