UCSF

ZINC49560625

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) 2.22 3.17 -35.23 5 7 1 114 326.427 3
Hi High (pH 8-9.5) 1.29 2.16 -49.04 3 7 -1 112 324.411 4
Mid Mid (pH 6-8) 1.29 2.63 -50.29 4 7 0 113 325.419 4
Mid Mid (pH 6-8) 2.22 2.7 -13.17 4 7 0 113 325.419 3

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

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