UCSF

ZINC21993200

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2008 23 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) 3.14 6.46 -14.23 1 5 0 65 312.321 6
Hi High (pH 8-9.5) 3.14 7.28 -52.75 0 5 -1 68 311.313 6

Activity (Go SEA)

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

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