UCSF

ZINC43252522

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 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) 3.13 5.72 -39.48 3 2 1 31 301.888 5
Hi High (pH 8-9.5) 3.13 4.97 -3.37 2 2 0 29 300.88 5
Mid Mid (pH 6-8) 3.13 7.41 -37.18 3 2 1 30 301.888 5
Mid Mid (pH 6-8) 3.13 7.72 -119.66 4 2 2 32 302.896 5

Activity (Go SEA)

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