UCSF

ZINC37198783

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 28 No

Popular Name: 3-[[(1R,4S)-4-(2-chlorophenyl)-1-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-2-yl]methyl]oxazolidine 3-[[(1R,4S)-4-(2-chlorophenyl)-1…

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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) 5.01 9.41 -17.76 1 4 0 32 411.958 3 ↓
Lo Low (pH 4.5-6) 5.01 11.72 -51.85 2 4 1 33 412.966 3 ↓

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Rings

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

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