UCSF

ZINC43969615

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) 2.39 8.02 -106.25 3 3 2 30 264.413 8
Hi High (pH 8-9.5) 2.39 6.53 -34.09 2 3 1 29 263.405 8
Hi High (pH 8-9.5) 2.39 3.66 -1.73 1 3 0 24 262.397 8
Mid Mid (pH 6-8) 2.39 5.52 -28.91 2 3 1 26 263.405 8

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