UCSF

ZINC03766516

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2004 28 No

Popular Name: (5S)-1-(3-ammoniopropyl)-5-(2-chlorophenyl)-2-keto-4-p-anisoyl-3-pyrrolin-3-olate (5S)-1-(3-ammoniopropyl)-5-(2-ch…

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Download: MOL2 SDF SMILES Flexibase

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) 2.14 6.46 -77.31 3 6 0 97 400.862 7 ↓
Mid Mid (pH 6-8) 2.14 -2.64 -53.67 4 6 1 94 401.87 7 ↓
Mid Mid (pH 6-8) 1.56 -2.77 -57.39 3 6 1 91 401.87 7 ↓

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