UCSF

ZINC69803167

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 30th, 2011 27 Yes

Popular Name: [(3R)-3-(morpholinomethyl)-1-piperidyl]methylBLAHone [(3R)-3-(morpholinomethyl)-1-pip…

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Download: MOL2 SDF SMILES Flexibase

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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) 1.96 5.59 -12.48 1 6 0 61 388.537 4 ↓
Hi High (pH 8-9.5) 2.42 5.05 -47.71 1 6 0 66 388.537 4 ↓
Mid Mid (pH 6-8) 1.96 7.8 -54.93 2 6 1 63 389.545 4 ↓
Mid Mid (pH 6-8) 1.96 7.62 -49.28 2 6 1 63 389.545 4 ↓
Lo Low (pH 4.5-6) 1.96 9.85 -124.1 3 6 2 64 390.553 4 ↓

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

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