UCSF

ZINC67966077

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 28 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) 3.16 8.99 -35.13 3 6 1 69 372.452 4
Hi High (pH 8-9.5) 3.16 8.53 -14.41 2 6 0 68 371.444 4
Mid Mid (pH 6-8) 3.16 9.68 -53.03 3 6 1 72 372.452 4

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

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