UCSF

ZINC19961728

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 16 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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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) 3.86 6.35 -28.45 4 3 1 52 222.356 7
Mid Mid (pH 6-8) 3.86 5.9 -5.27 3 3 0 51 221.348 7

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