UCSF

ZINC36753966

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2009 24 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

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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) 1.34 2.5 -17.18 1 7 0 73 374.894 6
Mid Mid (pH 6-8) 1.34 4.68 -57.23 2 7 1 74 375.902 6

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

No pre-computed analogs available. Try a structural similarity search.