UCSF

ZINC04167159

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 11th, 2005 30 No

Popular Name: 4-amino-2-(3-chloro-4-hydroxy-5-methoxy-phenyl)-9-(4-methoxyphenyl)-5-oxa-7,8-diazabicyclo[4.3.0]non 4-amino-2-(3-chloro-4-hydroxy-5-…

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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) 3.13 2.11 -11.95 4 8 0 126 424.844 4 ↓
Hi High (pH 8-9.5) 3.49 2.01 -50.77 2 8 -1 125 423.836 4 ↓
Lo Low (pH 4.5-6) 3.13 2.53 -61.63 5 8 1 128 425.852 4 ↓

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

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