UCSF

ZINC37371990

Substance Information

In ZINC since Heavy atoms Benign functionality
November 24th, 2009 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) 0.98 4.82 -86.02 4 4 2 45 279.428 6
Hi High (pH 8-9.5) 0.98 1.02 -2.9 2 4 0 39 277.412 6
Mid Mid (pH 6-8) 0.98 6.75 -197.38 5 4 3 46 280.436 6
Mid Mid (pH 6-8) 0.98 2.44 -37.97 3 4 1 43 278.42 6

Activity (Go SEA)

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