UCSF

ZINC37107370

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 19 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) 1.31 8.85 -81.89 3 4 2 36 262.401 3
Mid Mid (pH 6-8) 1.31 9.55 -195.09 4 4 3 40 263.409 3
Mid Mid (pH 6-8) 1.31 8.34 -36.61 2 4 1 34 261.393 3

Activity (Go SEA)

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

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