UCSF

ZINC53443996

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2010 20 No

Popular Name: (3R)-N-[2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]ethyl]-1,1-dioxo-thiolan-3- (3R)-N-[2-[(4aS,8aS)-2,3,4a,5,6,…

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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) 0.88 0.95 -63.66 2 5 1 63 303.448 4 ↓
Mid Mid (pH 6-8) 0.88 -0.22 -12.03 1 5 0 59 302.44 4 ↓
Lo Low (pH 4.5-6) 0.88 3.15 -150.04 3 5 2 64 304.456 4 ↓

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

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