UCSF

ZINC34682202

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 26 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 1.85 6.38 -41.43 3 7 1 83 359.45 6
Lo Low (pH 4.5-6) 1.85 6.73 -95.52 4 7 2 84 360.458 6

Activity (Go SEA)

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