UCSF

ZINC67541813

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 2011 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) 3.61 11.89 -86.1 3 5 2 50 355.53 8
Hi High (pH 8-9.5) 3.61 11.54 -40.17 2 5 1 49 354.522 8
Mid Mid (pH 6-8) 3.61 12.36 -167.9 4 5 3 51 356.538 8

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

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