UCSF

ZINC12576644

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 33 No

Popular Name: (5R)-1-(2-dimethylaminoethyl)-4-(4-fluorobenzoyl)-3-hydroxy-5-(3,4,5-trimethoxyphenyl)-5H-pyrrol-2-o (5R)-1-(2-dimethylaminoethyl)-4-…

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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) 2.20 8.67 -69.14 1 8 0 93 458.486 9 ↓
Hi High (pH 8-9.5) 2.20 6.14 -55.88 0 8 -1 91 457.478 9 ↓
Mid Mid (pH 6-8) 2.65 7.53 -59.32 2 8 1 90 459.494 8 ↓

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