UCSF

ZINC37052140

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 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) -0.58 4.94 -13.76 2 5 0 67 295.77 4
Lo Low (pH 4.5-6) -0.58 5.24 -46.3 3 5 1 68 296.778 4

Activity (Go SEA)

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