UCSF

ZINC39907882

Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 5.87 11.71 -10.53 0 2 0 18 298.817 4
Lo Low (pH 4.5-6) 5.87 12.13 -22.38 1 2 1 19 299.825 4

Activity (Go SEA)

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