UCSF

ZINC37052107

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) -0.66 4.53 -14.23 2 5 0 67 295.77 3
Lo Low (pH 4.5-6) -0.66 4.83 -46.48 3 5 1 68 296.778 3

Activity (Go SEA)

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