UCSF

ZINC26516740

Substance Information

In ZINC since Heavy atoms Benign functionality
February 7th, 2009 14 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.00 3.52 -37.78 2 3 1 26 199.318 5
Mid Mid (pH 6-8) 1.00 4.79 -109.28 3 3 2 30 200.326 5

Activity (Go SEA)

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