UCSF

ZINC37824059

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.42 6.16 -85.45 3 5 2 45 298.475 8
Hi High (pH 8-9.5) 0.42 4.86 -38.29 2 5 1 40 297.467 8
Hi High (pH 8-9.5) 0.42 4.8 -39.74 2 5 1 40 297.467 8
Lo Low (pH 4.5-6) 0.42 8.62 -168.44 4 5 3 46 299.483 8
Lo Low (pH 4.5-6) 0.42 6.23 -93.99 3 5 2 45 298.475 8

Activity (Go SEA)

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