UCSF

ZINC50770037

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2010 24 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) 2.78 7.33 -42.31 2 5 1 56 328.436 7
Mid Mid (pH 6-8) 2.78 8.03 -94.04 3 5 2 57 329.444 7

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