UCSF

ZINC64539150

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2011 35 No

Popular Name: (3S)-N-[2-(2H-indol-3-yl)ethyl]-1-[(1-isopropyl-2,3-dihydrobenzotriazol-5-yl)sulfonyl]piperidine-3-c (3S)-N-[2-(2H-indol-3-yl)ethyl]-…

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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) 3.11 6.58 -45.7 4 9 1 117 497.645 7 ↓
Lo Low (pH 4.5-6) 3.11 6.58 -94.11 5 9 2 112 498.653 7 ↓
Lo Low (pH 4.5-6) 3.11 6.42 -89.98 5 9 2 109 498.653 7 ↓

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

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