UCSF

ZINC03581770

Substance Information

In ZINC since Heavy atoms Benign functionality
November 8th, 2004 22 No

Download: MOL2 SDF SMILES Flexibase

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) 2.74 6.77 -56.5 1 5 -1 87 297.286 2
Hi High (pH 8-9.5) 2.74 7.39 -114.96 0 5 -2 89 296.278 2
Mid Mid (pH 6-8) 2.74 6.07 -14 2 5 0 84 298.294 2

Activity (Go SEA)

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

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