UCSF

ZINC13990807

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2008 23 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) 2.71 7.88 -7.88 0 3 0 29 323.827 6
Mid Mid (pH 6-8) 2.71 8.85 -33.69 1 3 1 30 324.835 6
Lo Low (pH 4.5-6) 2.71 10.09 -98.54 2 3 2 31 325.843 6
Lo Low (pH 4.5-6) 2.71 10.14 -101.89 2 3 2 31 325.843 6
Lo Low (pH 4.5-6) 2.71 10.43 -188.71 3 3 3 33 326.851 6

Activity (Go SEA)

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