UCSF

ZINC63245199

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 26th, 2011 26 No

Popular Name: 6-amino-2-[2-[(2S)-1-(4-bromophenyl)-2,5-dimethyl-2,3-dihydropyrrol-4-yl]-2-oxo-ethyl]sulfanyl-5H-py 6-amino-2-[2-[(2S)-1-(4-bromophe…

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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) 2.64 8.05 -16.33 2 6 0 88 435.347 5 ↓
Hi High (pH 8-9.5) 2.64 8.1 -34.87 1 6 -1 86 434.339 5 ↓
Lo Low (pH 4.5-6) 2.64 8.47 -44.81 3 6 1 90 436.355 5 ↓

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

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