UCSF

ZINC38573236

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 30 Yes

Popular Name: (3S)-6-chloro-4-(2-chlorophenyl)-3-[[4-(methoxymethyl)-6-oxo-1H-pyrimidin-2-yl]sulfanyl]-3H-quinolin (3S)-6-chloro-4-(2-chlorophenyl)…

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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) 5.08 8.74 -37.9 2 6 1 86 461.35 5 ↓
Hi High (pH 8-9.5) 5.54 7.38 -58.26 1 6 0 89 460.342 5 ↓

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

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