UCSF

ZINC41200903

Substance Information

In ZINC since Heavy atoms Benign functionality
April 17th, 2010 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) 3.19 7.3 -31.39 2 3 1 39 295.472 6
Hi High (pH 8-9.5) 3.19 5.82 -3.84 1 3 0 34 294.464 6
Lo Low (pH 4.5-6) 3.19 7.51 -85.24 3 3 2 40 296.48 6

Activity (Go SEA)

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