UCSF

ZINC16890614

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 2008 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) -0.04 2.8 -18.25 2 6 0 84 290.348 5
Lo Low (pH 4.5-6) -0.04 3.07 -46.83 3 6 1 85 291.356 5

Activity (Go SEA)

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