UCSF

ZINC70297525

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2011 18 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) 0.89 5.52 -38.16 3 4 1 49 251.398 3
Hi High (pH 8-9.5) 0.89 4.86 -4.84 2 4 0 47 250.39 3
Lo Low (pH 4.5-6) 0.89 6.33 -107.75 4 4 2 50 252.406 3
Lo Low (pH 4.5-6) 0.89 6.07 -29.96 3 4 1 48 251.398 3

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

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