UCSF

ZINC37052141

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) 0.05 3.45 -13.59 3 5 0 75 295.77 4
Lo Low (pH 4.5-6) 0.05 3.75 -46.6 4 5 1 77 296.778 4

Activity (Go SEA)

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