UCSF

ZINC37232320

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) 3.58 6.13 -47.21 2 3 1 29 336.258 6
Hi High (pH 8-9.5) 3.58 5.14 -3.78 1 3 0 24 335.25 6
Mid Mid (pH 6-8) 3.58 7.41 -38.83 2 3 1 26 336.258 6
Lo Low (pH 4.5-6) 3.58 8.41 -117.49 3 3 2 30 337.266 6

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

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