UCSF

ZINC63731222

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 4th, 2011 30 Yes

Popular Name: (2R)-2-[[3-(4-butoxyphenyl)-3-oxo-propyl]amino]-3-(2H-indol-3-yl)propanoic (2R)-2-[[3-(4-butoxyphenyl)-3-ox…

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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) 2.60 11.37 -87.17 3 6 1 97 409.506 12 ↓
Mid Mid (pH 6-8) 2.60 10.38 -54.56 2 6 0 92 408.498 12 ↓

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

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