UCSF

ZINC38570516

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 35 No

Popular Name: (5R,6S)-5-[(1S,9aS)-6-methoxy-2,3,4,9a-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]-1-[(3,5-dimethoxypheny (5R,6S)-5-[(1S,9aS)-6-methoxy-2,…

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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) 2.71 2.87 -15.14 4 10 0 125 480.521 6 ↓
Hi High (pH 8-9.5) 1.79 0.61 -49.86 3 10 -1 131 479.513 6 ↓
Lo Low (pH 4.5-6) 1.79 1.69 -39.88 4 10 0 136 480.521 6 ↓

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

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