UCSF

ZINC39912672

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 15th, 2010 39 Yes

Popular Name: (3aR,4S)-3-(2-hydroxy-3,5-dimethyl-phenyl)-5-(3-isopropoxypropyl)-4-(3-methoxy-4-pentoxy-phenyl)-3a, (3aR,4S)-3-(2-hydroxy-3,5-dimeth…

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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) 6.13 11.65 -17.2 2 8 0 97 535.685 13 ↓
Hi High (pH 8-9.5) 5.90 12.16 -61.2 0 8 -1 96 534.677 13 ↓
Hi High (pH 8-9.5) 5.90 11.99 -52.5 0 8 -1 96 534.677 13 ↓
Hi High (pH 8-9.5) 6.13 12.56 -44.04 1 8 -1 100 534.677 13 ↓

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