UCSF

ZINC04623563

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2005 23 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 -1.68 -22.34 2 6 0 87 306.325 4
Lo Low (pH 4.5-6) 0.66 -1.57 -44.74 3 6 1 88 307.333 4
Lo Low (pH 4.5-6) 0.66 -1.46 -90.09 4 6 2 90 308.341 4

Activity (Go SEA)

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