UCSF

ZINC05686298

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 24 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.52 6.22 -18.74 2 6 0 86 337.408 3
Lo Low (pH 4.5-6) 2.52 6.39 -49.56 3 6 1 87 338.416 3
Lo Low (pH 4.5-6) 2.52 6.67 -36.26 3 6 1 87 338.416 3

Activity (Go SEA)

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