UCSF

ZINC65150488

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 5th, 2011 31 Yes

Popular Name: (3S,7R)-N-[4-(diethylamino)-2-methyl-phenyl]-4-hydroxy-7-methyl-2-oxo-5,6,7,8-tetrahydro-3H-benzothi (3S,7R)-N-[4-(diethylamino)-2-me…

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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 10.9 -64.53 3 6 0 89 439.581 5 ↓
Hi High (pH 8-9.5) 5.08 10.88 -59.75 2 6 -1 88 438.573 5 ↓
Mid Mid (pH 6-8) 4.35 8.66 -12.96 2 6 0 82 439.581 5 ↓

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

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