UCSF

ZINC43411233

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.05 1.81 -37.81 3 4 1 49 247.403 9
Mid Mid (pH 6-8) 1.05 2.7 -30.19 3 4 1 46 247.403 9
Lo Low (pH 4.5-6) 1.05 3.91 -110.14 4 4 2 51 248.411 9

Activity (Go SEA)

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