UCSF

ZINC43435056

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 19 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.39 5.79 -42.73 3 5 1 70 273.397 9
Hi High (pH 8-9.5) 1.39 4.17 -36.07 3 5 1 63 273.397 9
Mid Mid (pH 6-8) 1.39 5.32 -100.6 4 5 2 68 274.405 9

Activity (Go SEA)

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