UCSF

ZINC69520314

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2011 24 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) 2.77 4.78 -12.09 1 5 0 53 332.444 3
Hi High (pH 8-9.5) 2.77 5.63 -56.28 0 5 -1 56 331.436 3
Mid Mid (pH 6-8) 2.77 6.78 -51.61 2 5 1 54 333.452 3

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

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