UCSF

ZINC26516809

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) -0.85 1.68 -40.53 2 4 1 40 200.306 2
Mid Mid (pH 6-8) -0.85 2.09 -33.69 2 4 1 37 200.306 2
Lo Low (pH 4.5-6) -0.85 3.56 -109.5 3 4 2 41 201.314 2

Activity (Go SEA)

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