UCSF

ZINC43899793

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 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) 3.51 7.73 -115.03 3 3 2 30 270.461 5
Hi High (pH 8-9.5) 3.51 5.87 -34.06 2 3 1 29 269.453 5
Hi High (pH 8-9.5) 3.51 5.09 -0.55 1 3 0 24 268.445 5
Mid Mid (pH 6-8) 3.51 6.82 -33.57 2 3 1 26 269.453 5

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