UCSF

ZINC59514479

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2011 33 No

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) 7.11 13.84 -17.14 1 6 0 81 478.957 7
Hi High (pH 8-9.5) 7.56 12.32 -51.83 0 6 -1 84 477.949 7

Activity (Go SEA)

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

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