UCSF

ZINC67724846

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 14th, 2011 28 Yes

Popular Name: 4-[(3R)-3-(imidazol-1-ylmethyl)-1-piperidyl]-2-phenyl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine 4-[(3R)-3-(imidazol-1-ylmethyl)-…

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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) 2.79 12.78 -93.37 3 6 2 65 376.508 4 ↓
Hi High (pH 8-9.5) 2.79 10.89 -13.08 1 6 0 59 374.492 4 ↓
Mid Mid (pH 6-8) 2.79 12.26 -59.35 2 6 1 63 375.5 4 ↓

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

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