UCSF

ZINC31935231

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 21 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) 3.37 8.49 -48.71 3 3 1 45 280.395 3
Lo Low (pH 4.5-6) 3.37 8.91 -96.36 4 3 2 46 281.403 3

Activity (Go SEA)

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