UCSF

ZINC41569439

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 22 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) 3.02 8.26 -48.44 2 5 1 56 318.422 5
Hi High (pH 8-9.5) 3.02 5.98 -11.63 1 5 0 54 317.414 5
Hi High (pH 8-9.5) 2.42 4.19 -46.94 0 5 -1 61 316.406 5
Mid Mid (pH 6-8) 2.42 6.48 -59.35 1 5 0 62 317.414 5

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