UCSF

ZINC43252586

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 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) 2.48 5.55 -49.35 3 3 1 44 310.874 6
Hi High (pH 8-9.5) 2.48 4.85 -3.82 2 3 0 42 309.866 6
Mid Mid (pH 6-8) 2.48 7.11 -42.48 3 3 1 43 310.874 6
Mid Mid (pH 6-8) 2.48 7.4 -129.26 4 3 2 45 311.882 6

Activity (Go SEA)

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