UCSF

ZINC63012748

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2011 17 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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Vendors

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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) 1.44 4.82 -32.56 2 3 1 26 233.335 1
Hi High (pH 8-9.5) 1.44 4.03 -43.69 2 3 1 29 233.335 1
Hi High (pH 8-9.5) 1.44 2.64 -3.72 1 3 0 24 232.327 1
Lo Low (pH 4.5-6) 1.44 6.17 -111.97 3 3 2 30 234.343 1

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

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