UCSF

ZINC22701749

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2008 27 No

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) 2.90 7.55 -10.8 1 5 0 54 421.613 5
Lo Low (pH 4.5-6) 2.90 9.96 -43.03 2 5 1 56 422.621 5

Activity (Go SEA)

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

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