UCSF

ZINC62983436

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 21st, 2011 19 Yes

Popular Name: 4-[(3S)-1-(4,6-dichloro-1,3,5-triazin-2-yl)pyrrolidin-3-yl]morpholine 4-[(3S)-1-(4,6-dichloro-1,3,5-tr…

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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) 2.25 5.44 -5.25 0 6 0 54 304.181 2 ↓
Mid Mid (pH 6-8) 2.25 7.63 -43.52 1 6 1 56 305.189 2 ↓

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

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