UCSF

ZINC38159104

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2010 24 No

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) 4.35 6.46 -42.04 1 6 -1 102 386.181 3
Hi High (pH 8-9.5) 4.35 7.18 -110.84 0 6 -2 105 385.173 3
Mid Mid (pH 6-8) 4.35 5.68 -12.18 2 6 0 99 387.189 3

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