UCSF

ZINC58315960

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2011 23 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) 1.24 3.35 -62.65 4 6 1 76 321.376 7
Hi High (pH 8-9.5) 1.24 2.15 -10.98 3 6 0 71 320.368 7
Mid Mid (pH 6-8) 1.24 3.51 -106.87 5 6 2 77 322.384 7

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

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