UCSF

ZINC62039001

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Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2011 30 No

Popular Name: N-(2-hydroxy-5-nitro-phenyl)-2-[[(7S)-7-methyl-4-oxo-5,6,7,8-tetrahydro-3H-benzothiopheno[2,3-d]pyri N-(2-hydroxy-5-nitro-phenyl)-2-[…

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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) 4.34 5.91 -21.69 3 9 0 141 446.51 5 ↓
Hi High (pH 8-9.5) 4.80 5.3 -91.19 1 9 -2 147 444.494 5 ↓
Mid Mid (pH 6-8) 4.34 6.68 -42.99 2 9 -1 144 445.502 5 ↓

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

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