UCSF

ZINC08742672

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2007 33 No

Popular Name: 4-(hydroxy-phenyl-methylene)-1-(5-methylisoxazol-3-yl)-5-(3,4,5-trimethoxyphenyl)-pyrrolidine-2,3-di 4-(hydroxy-phenyl-methylene)-1-(…

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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) 2.54 9.2 -58.45 0 9 -1 114 449.439 7 ↓
Mid Mid (pH 6-8) 1.95 2.57 -17.69 0 9 0 108 450.447 7 ↓
Lo Low (pH 4.5-6) 2.54 8.38 -18.51 1 9 0 111 450.447 7 ↓

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