UCSF

ZINC23071742

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 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) 0.16 5.76 -105.37 4 4 2 45 279.428 6
Hi High (pH 8-9.5) 0.16 3.45 -46.87 3 4 1 43 278.42 6
Hi High (pH 8-9.5) 0.16 3.16 -3.09 2 4 0 42 277.412 6
Mid Mid (pH 6-8) 0.16 5.07 -36.72 3 4 1 43 278.42 6
Mid Mid (pH 6-8) 0.16 5.35 -137.71 4 4 2 45 279.428 6

Activity (Go SEA)

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