UCSF

ZINC43411246

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 20 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) 2.28 3.46 -44.21 3 4 1 49 301.838 8
Mid Mid (pH 6-8) 2.28 4.17 -33.96 3 4 1 46 301.838 8
Lo Low (pH 4.5-6) 2.28 5.52 -118.62 4 4 2 51 302.846 8

Activity (Go SEA)

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