UCSF

ZINC43411582

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) 1.11 1.45 -37.95 3 4 1 49 247.403 8
Mid Mid (pH 6-8) 1.11 2.22 -30.54 3 4 1 46 247.403 8
Lo Low (pH 4.5-6) 1.11 3.59 -110.07 4 4 2 51 248.411 8

Activity (Go SEA)

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