UCSF

ZINC04464207

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2005 24 No

Other Names:

MFCD02225810

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) 3.33 7.68 -9.06 2 5 0 74 339.42 4
Hi High (pH 8-9.5) 3.33 8.44 -48.06 1 5 -1 77 338.412 4
Mid Mid (pH 6-8) 2.61 8.48 -27.6 2 5 0 71 339.42 5

Activity (Go SEA)

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