UCSF

ZINC60119741

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 14th, 2011 30 No

Popular Name: (2R,3R)-3-[(S)-hydroxy(phenyl)methyl]-1-(4-methoxyphenyl)sulfonyl-2,3,4,7-tetrahydroazepine-2-carboh (2R,3R)-3-[(S)-hydroxy(phenyl)me…

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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) 1.92 2.86 -21.03 3 8 0 116 432.498 6 ↓
Hi High (pH 8-9.5) 1.92 4.06 -72.19 2 8 -1 119 431.49 6 ↓
Hi High (pH 8-9.5) 2.10 0.79 -66.23 2 8 -1 122 431.49 6 ↓

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

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