UCSF

ZINC61458383

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 2011 19 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) 1.40 6.93 -34.31 4 4 1 68 259.377 4
Hi High (pH 8-9.5) 1.40 7.9 -6.53 3 4 0 66 258.369 4
Lo Low (pH 4.5-6) 1.40 7.41 -87.25 5 4 2 69 260.385 4

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

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