UCSF

ZINC69974929

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2011 23 Yes

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) 0.17 1.87 -40.67 0 7 -1 99 315.305 5
Lo Low (pH 4.5-6) -0.01 4.4 -15.31 1 7 0 93 316.313 5
Lo Low (pH 4.5-6) -0.01 3.87 -10.69 1 7 0 93 316.313 5

Activity (Go SEA)

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

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