UCSF

ZINC65508107

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 18th, 2011 29 Yes

Popular Name: (1R)-N,N-dimethyl-1-[3-[(4S,5R)-3-[[(3S)-5-methyl-3H-1,2,4-triazol-3-yl]methyl]-5-phenyl-imidazolidi (1R)-N,N-dimethyl-1-[3-[(4S,5R)-…

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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) 2.52 11.9 -189.14 5 6 3 67 393.559 6 ↓
Mid Mid (pH 6-8) 2.52 10.52 -92.74 4 6 2 62 392.551 6 ↓
Mid Mid (pH 6-8) 2.52 8.68 -39.41 3 6 1 61 391.543 6 ↓

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

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