UCSF

ZINC67630533

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 12th, 2011 25 Yes

Popular Name: (3S,5R)-N-(3-imidazol-1-ylpropyl)-2-methyl-1,1-dioxo-5-(2-thienyl)-1,2,6-thiadiazinane-3-carboxamide (3S,5R)-N-(3-imidazol-1-ylpropyl…

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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) 0.14 3.56 -48.09 3 8 1 98 384.507 6 ↓
Hi High (pH 8-9.5) 0.14 2.7 -47.97 1 8 -1 98 382.491 6 ↓
Mid Mid (pH 6-8) 0.14 3.21 -66.21 2 8 0 100 383.499 6 ↓
Mid Mid (pH 6-8) 0.14 3.04 -18.88 2 8 0 96 383.499 6 ↓

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Rings

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

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