UCSF

ZINC32917274

Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2009 17 No

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) 0.33 -0.34 -47.32 3 6 -1 107 256.307 4
Lo Low (pH 4.5-6) 0.33 -0.4 -15.12 4 6 0 105 257.315 4
Lo Low (pH 4.5-6) 0.33 -0.66 -11.51 4 6 0 105 257.315 4

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

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