UCSF

ZINC37232284

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 21 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) 3.09 5.63 -4.42 1 3 0 24 331.287 7
Mid Mid (pH 6-8) 3.09 7.9 -40.13 2 3 1 26 332.295 7
Lo Low (pH 4.5-6) 3.09 9.1 -117.12 3 3 2 30 333.303 7

Activity (Go SEA)

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

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