UCSF

ZINC36096932

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 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) -0.30 -1.14 -12.87 1 7 0 75 314.411 6
Hi High (pH 8-9.5) -0.30 -1.77 -41.8 0 7 -1 77 313.403 6
Lo Low (pH 4.5-6) -0.30 1.15 -51.86 2 7 1 76 315.419 6
Lo Low (pH 4.5-6) -0.30 -0.67 -46.01 2 7 1 76 315.419 6

Activity (Go SEA)

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

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