UCSF

ZINC69485188

Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 22 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) 1.13 6.14 -33.73 1 5 1 48 315.422 3
Hi High (pH 8-9.5) 1.13 5.68 -16.92 0 5 0 47 314.414 3
Mid Mid (pH 6-8) 1.13 8.37 -97.4 2 5 2 50 316.43 3

Activity (Go SEA)

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

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