UCSF

ZINC39917566

Substance Information

In ZINC since Heavy atoms Benign functionality
March 16th, 2010 31 Yes

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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) 3.57 12.83 -51.53 1 6 1 46 428.645 10
Hi High (pH 8-9.5) 3.57 10.4 -15.49 0 6 0 45 427.637 10
Mid Mid (pH 6-8) 3.57 12.71 -54.18 1 6 1 46 428.645 10
Lo Low (pH 4.5-6) 3.57 13.11 -78.87 2 6 2 47 429.653 10

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