UCSF

ZINC12022003

Substance Information

In ZINC since Heavy atoms Benign functionality
March 23rd, 2008 26 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) 3.59 9.91 -39.7 2 4 1 51 372.51 6
Hi High (pH 8-9.5) 3.59 10.79 -36.16 1 4 0 54 371.502 6

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

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