UCSF

ZINC43977843

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) 3.07 7.82 -104.8 3 3 2 30 270.461 9
Hi High (pH 8-9.5) 3.07 4.63 -1.75 1 3 0 24 268.445 9
Hi High (pH 8-9.5) 3.07 6.74 -28.61 2 3 1 26 269.453 9
Mid Mid (pH 6-8) 3.07 5.74 -36.42 2 3 1 29 269.453 9

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