UCSF

ZINC98230404

Substance Information

In ZINC since Heavy atoms Benign functionality
November 28th, 2014 41 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.79 8.63 -24.57 3 13 0 175 620.735 12
Hi High (pH 8-9.5) 2.97 6.61 -55.78 2 13 -1 182 619.727 12

Activity (Go SEA)

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

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