UCSF

ZINC41587776

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 31 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

    None

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) 3.88 6.44 -8.31 0 6 0 55 485.378 4
Mid Mid (pH 6-8) 3.88 8.72 -47.92 1 6 1 56 486.386 4
Lo Low (pH 4.5-6) 3.88 9.3 -51.94 1 6 1 56 486.386 4

Activity (Go SEA)

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

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