UCSF

ZINC41248439

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2010 17 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) -0.10 1.87 -10.11 2 5 0 71 235.287 5
Lo Low (pH 4.5-6) -0.10 2.34 -42.95 3 5 1 72 236.295 5

Activity (Go SEA)

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