UCSF

ZINC35017612

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 31 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 0.85 -0.23 -13.3 2 9 0 117 425.42 5
Mid Mid (pH 6-8) 0.85 0.58 -53.71 1 9 -1 120 424.412 5
Lo Low (pH 4.5-6) 0.85 0.95 -38.47 3 9 1 119 426.428 5
Lo Low (pH 4.5-6) 0.85 3.06 -97.21 4 9 2 120 427.436 5

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

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