UCSF

ZINC65733848

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2011 25 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 0.56 7.51 -135.56 3 10 -2 154 364.302 6
Mid Mid (pH 6-8) 0.56 6.35 -46.33 4 10 -1 151 365.31 6
Lo Low (pH 4.5-6) 0.56 6.74 -56.72 5 10 0 152 366.318 6

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

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