UCSF

ZINC71597239

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2011 19 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) 1.54 3.49 -40.15 3 4 1 49 265.377 6
Hi High (pH 8-9.5) 1.54 2.14 -5 2 4 0 45 264.369 6

Activity (Go SEA)

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