UCSF

ZINC69232352

Substance Information

In ZINC since Heavy atoms Benign functionality
October 21st, 2011 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) -2.26 6.88 -71.79 3 6 1 79 265.337 5
Hi High (pH 8-9.5) -2.26 5.01 -37.88 2 6 0 78 264.329 5
Hi High (pH 8-9.5) -2.26 4.47 -48.33 2 6 0 74 264.329 5
Mid Mid (pH 6-8) -2.26 5.47 -66.79 3 6 1 79 265.337 5

Activity (Go SEA)

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

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