UCSF

ZINC04551163

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2005 24 No

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) 3.38 9.77 -39.91 1 4 -1 57 337.424 4
Mid Mid (pH 6-8) 3.38 9.74 -41.05 1 4 -1 57 337.424 4
Mid Mid (pH 6-8) 3.75 10.85 -9.59 2 4 0 50 338.432 5

Activity (Go SEA)

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