UCSF

ZINC37107281

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 20 Yes

Download: MOL2 SDF SMILES Flexibase

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) 1.89 10.62 -81.87 3 4 2 36 278.444 3
Mid Mid (pH 6-8) 1.89 11.04 -186.33 4 4 3 40 279.452 3
Mid Mid (pH 6-8) 1.89 9.49 -31.59 2 4 1 34 277.436 3

Activity (Go SEA)

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

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