UCSF

ZINC33813241

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2009 31 No

Popular Name: (2S)-2-(3-allyloxyphenyl)-1-(2-dimethylaminoethyl)-3-(2,4-dimethylthiazole-5-carbonyl)-4-hydroxy-2H- (2S)-2-(3-allyloxyphenyl)-1-(2-d…

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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) 2.19 8.99 -68.08 1 7 0 87 441.553 9 ↓
Hi High (pH 8-9.5) 2.19 6.58 -57.44 0 7 -1 86 440.545 9 ↓
Lo Low (pH 4.5-6) 2.19 8.28 -49.47 2 7 1 84 442.561 9 ↓

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