UCSF

ZINC69491307

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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) -0.56 1.89 -37.78 1 7 1 74 286.315 3
Hi High (pH 8-9.5) -0.56 1.43 -17.87 0 7 0 73 285.307 3
Lo Low (pH 4.5-6) -0.56 4.13 -102.95 2 7 2 76 287.323 3

Activity (Go SEA)

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

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