UCSF

ZINC63933678

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 30 Yes

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

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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) 2.48 -1.42 -27.98 4 7 1 99 405.478 2 ↓
Hi High (pH 8-9.5) 2.48 -0.84 -44.75 3 7 0 102 404.47 2 ↓
Lo Low (pH 4.5-6) 2.48 -0.32 -95.64 5 7 2 104 406.486 2 ↓

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

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