UCSF

ZINC05686964

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 25 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) 2.57 6.9 -60.96 0 5 -1 70 340.33 4
Mid Mid (pH 6-8) 3.02 1.32 -22.07 1 5 0 66 341.338 3
Mid Mid (pH 6-8) 1.99 1.09 -13.17 0 5 0 63 341.338 4

Activity (Go SEA)

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