UCSF

ZINC63002325

Substance Information

In ZINC since Heavy atoms Benign functionality
May 22nd, 2011 18 No

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) 2.17 7.13 -29.41 2 4 1 52 265.358 4
Hi High (pH 8-9.5) 2.17 6.28 -9.67 1 4 0 51 264.35 4

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

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