UCSF

ZINC95618800

Substance Information

In ZINC since Heavy atoms Benign functionality
January 17th, 2014 21 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) 0.80 -0.59 -42.72 5 6 1 94 314.793 4
Hi High (pH 8-9.5) 0.80 -3.71 -7.34 4 6 0 89 313.785 4
Hi High (pH 8-9.5) 0.80 -1.95 -6.85 4 6 0 89 313.785 4
Lo Low (pH 4.5-6) 0.80 -1.04 -98.82 6 6 2 95 315.801 4
Lo Low (pH 4.5-6) 0.80 0.2 -95.94 6 6 2 95 315.801 4

Activity (Go SEA)

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

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