UCSF

ZINC43967112

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2010 19 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) 3.60 7.96 -112.31 3 3 2 30 272.477 9
Hi High (pH 8-9.5) 3.60 5.05 -0.83 1 3 0 24 270.461 9
Hi High (pH 8-9.5) 3.60 6.47 -35.78 2 3 1 29 271.469 9
Mid Mid (pH 6-8) 3.60 7.4 -29.61 2 3 1 26 271.469 9

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