UCSF

ZINC29189695

Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 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) 1.43 2.46 -36.9 4 3 1 60 213.326 5
Mid Mid (pH 6-8) 1.43 1.12 -9.91 3 3 0 55 212.318 5
Lo Low (pH 4.5-6) 1.75 0.49 -33.65 4 3 1 61 213.326 5

Activity (Go SEA)

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