UCSF

ZINC42947127

Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 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) 3.65 5.06 -44.22 3 2 1 31 309.783 7
Hi High (pH 8-9.5) 3.65 4.77 -2.69 2 2 0 29 308.775 7
Lo Low (pH 4.5-6) 3.65 7.4 -122.53 4 2 2 32 310.791 7

Activity (Go SEA)

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