UCSF

ZINC44992950

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2010 20 No

Popular Name: (2S)-1-[[(2S)-2-(1-piperidyl)propyl]amino]-3-(1,2,5-thiadiazol-3-yloxy)propan-2-ol (2S)-1-[[(2S)-2-(1-piperidyl)pro…

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Vendors

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) 0.77 -0.33 -33.69 3 6 1 72 301.436 8 ↓
Mid Mid (pH 6-8) 0.77 -0.85 -43.17 3 6 1 75 301.436 8 ↓
Lo Low (pH 4.5-6) 0.77 1.04 -120.76 4 6 2 76 302.444 8 ↓

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

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