UCSF

ZINC23042742

Substance Information

In ZINC since Heavy atoms Benign functionality
December 24th, 2008 17 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) 1.53 3.85 -8.46 1 5 0 62 231.255 3
Hi High (pH 8-9.5) 1.71 2.05 -40.35 0 5 -1 68 230.247 3

Activity (Go SEA)

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

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