UCSF

ZINC43261992

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 18 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) 2.77 4.19 -31.34 4 3 1 51 336.319 8
Hi High (pH 8-9.5) 2.77 2.32 -2.55 3 3 0 49 335.311 8
Mid Mid (pH 6-8) 2.77 2.06 -40.84 4 3 1 51 336.319 8
Lo Low (pH 4.5-6) 2.77 4.5 -122.62 5 3 2 52 337.327 8

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