UCSF

ZINC65494399

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 27 No

Popular Name: 1-[2-[[(4R)-4-methyl-4H-imidazol-5-yl]methylsulfanyl]ethyl]-5-[(4S)-1-methylpyrazolidin-4-yl]-4-phen 1-[2-[[(4R)-4-methyl-4H-imidazol…

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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) 2.10 10 -38.82 3 6 1 63 383.545 7 ↓
Mid Mid (pH 6-8) 2.10 9.46 -12.8 2 6 0 62 382.537 7 ↓
Mid Mid (pH 6-8) 2.10 10.46 -83.04 4 6 2 64 384.553 7 ↓
Mid Mid (pH 6-8) 2.10 9.87 -43.24 3 6 1 63 383.545 7 ↓
Lo Low (pH 4.5-6) 2.10 12.22 -154.14 5 6 3 65 385.561 7 ↓

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

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