UCSF

ZINC19871836

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2008 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.32 5.84 -16.6 1 4 0 63 278.308 3
Mid Mid (pH 6-8) 2.77 5 -52.79 0 4 -1 66 277.3 3
Mid Mid (pH 6-8) 2.32 5.34 -27.89 1 4 0 63 278.308 3

Activity (Go SEA)

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