UCSF

ZINC66066207

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2011 24 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) 1.24 4.91 -24.56 3 6 0 90 326.352 4
Hi High (pH 8-9.5) 1.43 3.62 -60.68 2 6 -1 96 325.344 4
Hi High (pH 8-9.5) 1.24 6.06 -75.07 2 6 -1 93 325.344 4

Activity (Go SEA)

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

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