UCSF

ZINC59110705

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
February 25th, 2011 42 No

Popular Name: 3-[1-[[(3aR,4S,7S,7aR)-5-acetyl-7-amino-2,2-dimethyl-4,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-c]pyri 3-[1-[[(3aR,4S,7S,7aR)-5-acetyl-…

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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) 2.31 10.18 -75.04 4 10 1 126 568.654 4 ↓
Mid Mid (pH 6-8) 2.31 9.87 -16.92 3 10 0 125 567.646 4 ↓

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

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