UCSF

ZINC32758519

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2009 22 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) 1.08 8.42 -18.19 2 8 0 103 297.322 3
Lo Low (pH 4.5-6) 1.08 8.85 -37.23 3 8 1 104 298.33 3
Lo Low (pH 4.5-6) 1.08 8.75 -27.18 3 8 1 104 298.33 3

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

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