UCSF

ZINC34482150

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2009 15 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) -0.31 5.43 -50.61 0 6 -1 87 216.213 7
Lo Low (pH 4.5-6) -0.31 3.45 -12.22 1 6 0 84 217.221 7

Activity (Go SEA)

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