UCSF

ZINC20358284

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 36 No

Popular Name: (5S)-4-(4-allyloxybenzoyl)-1-(2-dimethylaminoethyl)-3-hydroxy-5-(3,4,5-trimethoxyphenyl)-5H-pyrrol-2 (5S)-4-(4-allyloxybenzoyl)-1-(2-…

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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) 2.74 9.51 -74.18 1 9 0 102 496.56 12 ↓
Hi High (pH 8-9.5) 2.74 6.96 -59.76 0 9 -1 101 495.552 12 ↓
Lo Low (pH 4.5-6) 2.74 8.69 -58.35 2 9 1 99 497.568 12 ↓

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