UCSF

ZINC13797725

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Substance Information

In ZINC since Heavy atoms Benign functionality
June 25th, 2008 28 No

Popular Name: (3R)-2-[[5-(2-pyridyl)-2-thienyl]sulfonyl]-3,4-dihydro-1H-isoquinoline-3-carbohydroxamic (3R)-2-[[5-(2-pyridyl)-2-thienyl…

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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) 2.14 4.85 -20.11 2 7 0 100 415.496 4 ↓
Hi High (pH 8-9.5) 2.14 6.06 -66.9 1 7 -1 102 414.488 4 ↓
Lo Low (pH 4.5-6) 2.14 5.15 -45.65 3 7 1 101 416.504 4 ↓

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

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