UCSF

ZINC63268786

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 27th, 2011 32 Yes

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

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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) 6.08 9.55 -33.28 2 4 1 48 458.632 5 ↓
Mid Mid (pH 6-8) 6.08 10.75 -117.83 3 4 2 53 459.64 5 ↓

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

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