UCSF

ZINC42451687

Substance Information

In ZINC since Heavy atoms Benign functionality
April 29th, 2010 16 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) 1.84 4.52 -37.91 2 3 1 29 227.372 6
Lo Low (pH 4.5-6) 1.84 6.37 -102.3 3 3 2 30 228.38 6

Activity (Go SEA)

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