UCSF

ZINC40870701

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 32 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) 5.99 13.86 -21.49 1 7 0 97 510.369 7
Hi High (pH 8-9.5) 6.18 11.35 -50.34 0 7 -1 103 509.361 7

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

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