UCSF

ZINC35819334

Substance Information

In ZINC since Heavy atoms Benign functionality
October 13th, 2009 30 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) -0.06 3.89 -11.62 0 9 0 82 418.542 9
Mid Mid (pH 6-8) -0.06 6.15 -42.71 1 9 1 83 419.55 9
Mid Mid (pH 6-8) -0.06 6.1 -51.44 1 9 1 83 419.55 9
Mid Mid (pH 6-8) -0.06 8.37 -92.28 2 9 2 85 420.558 9

Activity (Go SEA)

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