UCSF

ZINC37466262

Substance Information

In ZINC since Heavy atoms Benign functionality
November 25th, 2009 20 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) 2.91 3.69 -44.15 3 3 1 34 296.401 9
Mid Mid (pH 6-8) 2.91 5.83 -104.04 4 3 2 35 297.409 9
Mid Mid (pH 6-8) 2.91 6.02 -122.41 4 3 2 35 297.409 9

Activity (Go SEA)

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