UCSF

ZINC00746842

Substance Information

In ZINC since Heavy atoms Benign functionality
July 25th, 2004 31 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) 3.02 -2.5 -13.62 2 6 0 74 414.509 6
Lo Low (pH 4.5-6) 3.02 -2.39 -48.6 3 6 1 75 415.517 6

Activity (Go SEA)

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

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