UCSF

ZINC43992280

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 3.55 11.19 -50.21 2 3 1 34 272.416 8
Hi High (pH 8-9.5) 3.54 10.25 -6.03 1 3 0 30 271.408 8
Mid Mid (pH 6-8) 3.55 11.7 -106.01 3 3 2 36 273.424 8

Activity (Go SEA)

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