UCSF

ZINC43253079

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 17 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) 3.10 4.19 -44.02 3 2 1 31 273.853 4
Hi High (pH 8-9.5) 3.10 6.09 -31.52 3 2 1 30 273.853 4
Hi High (pH 8-9.5) 3.10 3.88 -1.92 2 2 0 29 272.845 4
Lo Low (pH 4.5-6) 3.10 6.41 -112.3 4 2 2 32 274.861 4

Activity (Go SEA)

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