UCSF

ZINC54243554

Substance Information

In ZINC since Heavy atoms Benign functionality
December 1st, 2010 15 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) 1.05 4.37 -99.05 3 3 2 24 213.369 3
Mid Mid (pH 6-8) 1.05 1.98 -38.61 2 3 1 23 212.361 3
Lo Low (pH 4.5-6) 1.05 5.72 -76.89 3 3 2 21 213.369 3
Lo Low (pH 4.5-6) 1.05 6.94 -181.6 4 3 3 25 214.377 3

Activity (Go SEA)

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