UCSF

ZINC70670181

Substance Information

In ZINC since Heavy atoms Benign functionality
November 23rd, 2011 35 No

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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) 1.09 7.95 -51.37 1 10 -1 151 489.545 9
Mid Mid (pH 6-8) 2.01 6.66 -107.94 0 10 -2 158 488.537 9
Mid Mid (pH 6-8) 1.09 7.1 -17.43 2 10 0 148 490.553 9
Mid Mid (pH 6-8) 2.01 6.74 -124.02 0 10 -2 158 488.537 9
Mid Mid (pH 6-8) 2.01 5.66 -114.02 0 10 -2 158 488.537 9

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

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