UCSF

ZINC57731597

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2011 32 Yes

Popular Name: 1'-(1-methyl-9H-pyrido[3,4-b]indole-3-carbonyl)spiro[3H-1,3-benzoxazine-2,4'-piperidine]-4-one 1'-(1-methyl-9H-pyrido[3,4-b]ind…

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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) 4.17 7.85 -14.63 2 7 0 87 426.476 1 ↓
Mid Mid (pH 6-8) 4.17 7.9 -37.95 3 7 1 89 427.484 1 ↓

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

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