UCSF

ZINC60023114

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 28 Yes

Download: MOL2 SDF SMILES Flexibase

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) 2.52 6.03 -50.61 3 7 1 93 385.44 8
Mid Mid (pH 6-8) 2.52 5.68 -11.91 2 7 0 91 384.432 8

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID US4144232; US4203896 IBM Patent Data

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

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