UCSF

ZINC39132598

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 11 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -0.56 -0.25 -100.33 6 4 2 70 154.217 1
Mid Mid (pH 6-8) -0.56 -0.98 -46.6 5 4 1 68 153.209 1
Lo Low (pH 4.5-6) -0.56 0.83 -92.03 6 4 2 73 154.217 1

Activity (Go SEA)

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