UCSF

ZINC69189150

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2011 20 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) 0.74 5.32 -15.9 3 7 0 107 293.352 6
Mid Mid (pH 6-8) 0.74 4.88 -39.24 2 7 -1 105 292.344 6
Lo Low (pH 4.5-6) 0.74 5.66 -46.44 4 7 1 108 294.36 6

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

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