UCSF

ZINC43427743

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 13th, 2010 18 No

Popular Name: 6-[(4aS,7aR)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]pyridine-3-carbothioamide 6-[(4aS,7aR)-3,4a,5,6,7,7a-hexah…

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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) 1.67 5.16 -12.39 2 4 0 51 263.366 2 ↓
Lo Low (pH 4.5-6) 1.67 5.48 -45.86 3 4 1 53 264.374 2 ↓

Activity (Go SEA)

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