UCSF

ZINC39917537

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) 4.60 13.57 -44.1 1 5 1 35 421.609 10
Hi High (pH 8-9.5) 4.60 11.19 -11.46 0 5 0 34 420.601 10
Mid Mid (pH 6-8) 4.60 13.45 -47.45 1 5 1 35 421.609 10
Lo Low (pH 4.5-6) 4.60 13.86 -80.58 2 5 2 36 422.617 10

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