UCSF

ZINC36156051

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 32 Yes

Popular Name: 2-[[[(2R)-2-hydroxy-3-prop-2-ynoxy-propyl]-(2-morpholinoethyl)amino]methyl]-5,6,7,8-tetrahydro-3H-be 2-[[[(2R)-2-hydroxy-3-prop-2-yno…

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Download: MOL2 SDF SMILES Flexibase

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) 1.20 5.19 -59.65 3 8 1 92 461.608 10 ↓
Hi High (pH 8-9.5) 1.20 3.01 -16.93 2 8 0 91 460.6 10 ↓
Hi High (pH 8-9.5) 1.66 2.67 -46.95 2 8 0 95 460.6 10 ↓
Lo Low (pH 4.5-6) 1.20 5.28 -56.08 3 8 1 92 461.608 10 ↓

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Rings

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