UCSF

ZINC39336679

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 27 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) -0.25 -6.6 -49.39 4 11 -1 155 379.397 3
Lo Low (pH 4.5-6) -0.25 -6.61 -16.95 5 11 0 158 380.405 3

Activity (Go SEA)

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