UCSF

ZINC37986259

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 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) 1.20 5.33 -107.02 4 4 2 51 278.396 6
Mid Mid (pH 6-8) 1.20 5.86 -46.88 3 4 1 53 277.388 6
Mid Mid (pH 6-8) 1.20 3.96 -35.63 3 4 1 46 277.388 6

Activity (Go SEA)

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