UCSF

ZINC63933114

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 8th, 2011 31 Yes

Popular Name: (2R,5R)-5-[(1R,9aS)-6-methoxy-2,3,4,9a-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]-2,6-dihydroxy-3-(o-tol (2R,5R)-5-[(1R,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) 2.08 -2.49 -31.39 4 8 1 108 421.477 3 ↓
Hi High (pH 8-9.5) 2.08 -1.91 -49.5 3 8 0 111 420.469 3 ↓
Lo Low (pH 4.5-6) 2.08 -1.39 -107.89 5 8 2 113 422.485 3 ↓

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

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