UCSF

ZINC43905610

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2010 14 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) 1.09 4.6 -111.7 3 3 2 30 200.326 4
Hi High (pH 8-9.5) 1.09 1.02 -1.85 1 3 0 24 198.31 4
Hi High (pH 8-9.5) 1.09 2.66 -35.4 2 3 1 29 199.318 4
Mid Mid (pH 6-8) 1.09 3.47 -29.88 2 3 1 26 199.318 4

Activity (Go SEA)

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