UCSF

ZINC44721530

Substance Information

In ZINC since Heavy atoms Benign functionality
July 21st, 2010 17 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) 0.33 5.21 -37.09 2 4 1 37 238.355 5
Lo Low (pH 4.5-6) 0.33 6.38 -111.14 3 4 2 41 239.363 5
Lo Low (pH 4.5-6) 0.33 3.97 -41.88 2 4 1 40 238.355 5

Activity (Go SEA)

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