UCSF

ZINC36642280

Substance Information

In ZINC since Heavy atoms Benign functionality
November 10th, 2009 26 Yes

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) 2.23 10.54 -40.06 1 7 1 65 374.49 7
Hi High (pH 8-9.5) 2.23 8.17 -11.06 0 7 0 63 373.482 7
Lo Low (pH 4.5-6) 2.23 9.99 -105.08 2 7 2 66 375.498 7

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

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