UCSF

ZINC38570292

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 32 No

Popular Name: (2S)-2-[[(9aR)-1-(3-methoxyphenyl)-9aH-pyrido[3,4-b]indole-3-carbonyl]amino]-4-methylsulfanyl-butano (2S)-2-[[(9aR)-1-(3-methoxypheny…

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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) 1.58 9.63 -70.37 2 7 0 105 449.532 8 ↓
Lo Low (pH 4.5-6) 1.58 9.98 -105.58 3 7 1 106 450.54 8 ↓

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

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