UCSF

ZINC05685787

Substance Information

In ZINC since Heavy atoms Benign functionality
February 9th, 2006 24 No

Other Names:

MFCD02158237

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) 3.02 9.48 -56.38 0 4 -1 60 318.352 5
Mid Mid (pH 6-8) 2.44 1.03 -9.37 0 4 0 54 319.36 5
Mid Mid (pH 6-8) 3.47 7.93 -26.44 1 4 0 58 319.36 4

Activity (Go SEA)

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