UCSF

ZINC62962766

Substance Information

In ZINC since Heavy atoms Benign functionality
May 20th, 2011 19 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) -0.16 0.88 -121.61 4 5 2 69 291.461 4
Hi High (pH 8-9.5) -0.16 0.52 -44.24 3 5 1 68 290.453 4
Hi High (pH 8-9.5) -0.16 -1.04 -61.61 3 5 1 68 290.453 4
Hi High (pH 8-9.5) -0.16 -1.87 -9.99 2 5 0 67 289.445 4

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

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