UCSF

ZINC42781924

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 20 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 9.33 -37.02 2 2 1 16 285.333 5
Mid Mid (pH 6-8) 2.80 6.92 -46.88 2 2 1 20 285.333 5
Mid Mid (pH 6-8) 2.80 7.05 -3.5 1 2 0 15 284.325 5
Lo Low (pH 4.5-6) 2.80 8.59 -125.11 3 2 2 21 286.341 5

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