UCSF

ZINC43252779

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 21 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) 1.67 6.27 -38.99 3 4 1 51 330.905 5
Hi High (pH 8-9.5) 1.67 4.63 -59.46 3 4 1 51 330.905 5
Hi High (pH 8-9.5) 1.67 4.55 -8.22 2 4 0 50 329.897 5
Mid Mid (pH 6-8) 1.67 6.56 -123.21 4 4 2 52 331.913 5

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