UCSF

ZINC54435415

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2010 27 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) 1.84 7.18 -16.28 1 7 0 74 376.432 6
Hi High (pH 8-9.5) 1.69 6.51 -60.56 1 7 -1 80 375.424 6
Hi High (pH 8-9.5) 1.84 7.53 -42.11 0 7 -1 76 375.424 6
Lo Low (pH 4.5-6) 1.84 10.23 -43.89 2 7 1 75 377.44 6
Lo Low (pH 4.5-6) 1.84 9.73 -50.69 1 7 0 78 376.432 6

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.