UCSF

ZINC62965465

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 17 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) 2.76 5.31 -35.09 1 3 1 21 275.203 3
Hi High (pH 8-9.5) 2.76 2.91 -3.55 0 3 0 19 274.195 3
Lo Low (pH 4.5-6) 2.76 7.82 -101.39 2 3 2 22 276.211 3

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

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