UCSF

ZINC21052526

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2008 21 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) 3.47 7.09 -34.71 3 3 1 37 356.328 5
Hi High (pH 8-9.5) 3.47 6.17 -37.88 2 3 0 43 355.32 5
Lo Low (pH 4.5-6) 3.47 7.66 -102.09 4 3 2 41 357.336 5

Activity (Go SEA)

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