UCSF

ZINC21804240

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 17 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) 4.54 9.31 -4.12 1 1 0 12 225.335 5

Vendor Notes

Note Type Comments Provided By
PUBCHEM_PATENT_ID EP0051563A1; US4016191; US4046771; US4172944; US4180513; US4595768; US4732991; US4734490 IBM Patent Data

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