UCSF

ZINC21814462

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 20 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) 3.69 10.33 -101.2 3 2 2 21 300.849 6
Hi High (pH 8-9.5) 3.69 8.04 -35.14 2 2 1 20 299.841 6
Hi High (pH 8-9.5) 3.69 8.9 -34.06 2 2 1 16 299.841 6
Hi High (pH 8-9.5) 3.69 6.62 -3.3 1 2 0 15 298.833 6

Activity (Go SEA)

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