UCSF

ZINC49560621

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 21 No

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) 2.44 2.61 -16.45 4 7 0 113 325.419 3
Hi High (pH 8-9.5) 1.51 2.14 -51.52 3 7 -1 112 324.411 4
Mid Mid (pH 6-8) 1.51 2.62 -47.21 4 7 0 113 325.419 4
Mid Mid (pH 6-8) 2.44 3.09 -36.46 5 7 1 114 326.427 3

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

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