UCSF

ZINC05027572

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2006 25 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) 2.44 7.84 -10.5 3 9 0 105 346.391 7
Lo Low (pH 4.5-6) 2.44 8.18 -30.17 4 9 1 106 347.399 7
Lo Low (pH 4.5-6) 2.44 8.36 -29.87 4 9 1 106 347.399 7

Activity (Go SEA)

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