UCSF

ZINC41588714

Substance Information

In ZINC since Heavy atoms Benign functionality
April 21st, 2010 37 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) 5.17 10.03 -10.91 0 6 0 55 496.607 6
Mid Mid (pH 6-8) 5.17 12.9 -53.8 1 6 1 56 497.615 6
Mid Mid (pH 6-8) 5.17 12.3 -48.27 1 6 1 56 497.615 6
Lo Low (pH 4.5-6) 5.17 15.17 -127.29 2 6 2 58 498.623 6

Activity (Go SEA)

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

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