UCSF

ZINC09560758

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 31st, 2007 29 Yes

Popular Name: 3,7-dimethyl-5-oxo-N-[4-(1-piperidylmethyl)phenyl]-9-thia-2,6-diazabicyclo[4.3.0]nona-1,3,7-triene-4 3,7-dimethyl-5-oxo-N-[4-(1-piper…

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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) 2.64 9.66 -48.22 2 7 1 85 433.579 5 ↓
Mid Mid (pH 6-8) 2.64 9.7 -68.43 1 7 0 87 432.571 5 ↓
Lo Low (pH 4.5-6) 2.64 10.07 -90.95 3 7 2 86 434.587 5 ↓

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Rings

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

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