UCSF

ZINC59819593

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 46 No

Popular Name: 3-[2-[1-[(13-cyclohexyl-3-methoxy-6,7-dihydroindolo[1,2-d][1,4]benzoxazepine-10-carbonyl)amino]-1-me 3-[2-[1-[(13-cyclohexyl-3-methox…

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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) 6.71 16.07 -52.43 2 9 -1 121 619.742 8 ↓
Lo Low (pH 4.5-6) 6.71 14.09 -16.93 3 9 0 118 620.75 8 ↓
Lo Low (pH 4.5-6) 6.71 16.53 -64.16 3 9 0 123 620.75 8 ↓

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

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