UCSF

ZINC36330445

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 26th, 2009 34 No

Popular Name: (2R)-2-[[(2R,4S)-1-[(Z,4R)-4-amino-5-sulfanyl-pent-2-enyl]-4-(3,4-dimethoxyphenoxy)pyrrolidine-2-car (2R)-2-[[(2R,4S)-1-[(Z,4R)-4-ami…

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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) -0.84 5.87 -81.71 4 9 0 128 513.682 14 ↓
Hi High (pH 8-9.5) -0.84 5.61 -56.39 3 9 -1 126 512.674 14 ↓
Hi High (pH 8-9.5) -0.84 6.46 -97.93 4 9 -1 128 512.674 14 ↓
Mid Mid (pH 6-8) -0.84 8.08 -123.38 5 9 1 129 514.69 14 ↓

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Rings

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

No pre-computed analogs available. Try a structural similarity search.