UCSF

ZINC43967135

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 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) 1.80 7.07 -115.99 3 4 2 39 252.406 4
Hi High (pH 8-9.5) 1.80 4.07 -4.69 1 4 0 33 250.39 4
Hi High (pH 8-9.5) 1.80 5.78 -35.54 2 4 1 34 251.398 4
Mid Mid (pH 6-8) 1.80 5.31 -37.12 2 4 1 38 251.398 4

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