UCSF

ZINC09471060

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2007 32 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) 1.60 5.41 -61.28 1 10 -1 145 441.416 10
Mid Mid (pH 6-8) 2.05 4.36 -30.35 2 10 0 142 442.424 9
Mid Mid (pH 6-8) 1.02 5.38 -24.27 1 10 0 139 442.424 10

Activity (Go SEA)

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