UCSF

ZINC37232327

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 21 Yes

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) 2.10 6.38 -47.37 2 3 1 29 327.901 5
Hi High (pH 8-9.5) 2.10 5.58 -4.28 1 3 0 24 326.893 5
Mid Mid (pH 6-8) 2.10 7.84 -39.61 2 3 1 26 327.901 5
Lo Low (pH 4.5-6) 2.10 8.66 -119.56 3 3 2 30 328.909 5

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

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