UCSF

ZINC40444277

Substance Information

In ZINC since Heavy atoms Benign functionality
April 7th, 2010 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) 2.48 6.77 -37.83 2 3 1 28 289.443 4
Hi High (pH 8-9.5) 2.48 6.67 -33.13 2 3 1 28 289.443 4
Lo Low (pH 4.5-6) 2.48 8.96 -103.96 3 3 2 29 290.451 4

Activity (Go SEA)

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