UCSF

ZINC41055645

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 26 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) 1.36 7.19 -13.64 2 7 0 101 375.381 5
Hi High (pH 8-9.5) 2.73 4.63 -106.94 0 7 -2 111 373.365 5
Mid Mid (pH 6-8) 2.66 6.94 -42.05 1 7 -1 104 374.373 5
Mid Mid (pH 6-8) 1.43 6.83 -53.58 1 7 -1 107 374.373 5

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