UCSF

ZINC69841660

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 15 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) 2.15 5.81 -42.53 2 2 1 29 199.277 1
Hi High (pH 8-9.5) 2.15 4.47 -5.22 1 2 0 25 198.269 1
Lo Low (pH 4.5-6) 2.15 6.28 -87.17 3 2 2 31 200.285 1

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

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