UCSF

ZINC55413900

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2010 30 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) 2.11 9.35 -51.13 3 7 1 83 407.494 5
Hi High (pH 8-9.5) 2.29 4.51 -63.11 1 7 -1 88 405.478 5
Hi High (pH 8-9.5) 2.29 6.75 -80.85 2 7 0 89 406.486 5

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

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