UCSF

ZINC34684548

Substance Information

In ZINC since Heavy atoms Benign functionality
September 22nd, 2009 33 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 2.80 6.82 -41.38 2 7 1 66 448.591 9
Hi High (pH 8-9.5) 2.80 4.34 -8.41 1 7 0 65 447.583 9
Mid Mid (pH 6-8) 2.80 9.12 -95.39 3 7 2 67 449.599 9

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