UCSF

ZINC42922801

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 37 No

Popular Name: (2S,3R,4R)-4-[[(1S)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl]methyl]-2-[(2S,3R,4S,5S,6R)-3,4,5- (2S,3R,4R)-4-[[(1S)-2,3,4,9-tetr…

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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) 0.61 -0.31 -59.43 7 11 0 181 516.547 7 ↓
Mid Mid (pH 6-8) 0.61 -1.33 -52.71 6 11 -1 177 515.539 7 ↓
Lo Low (pH 4.5-6) 0.61 -2.2 -53.3 8 11 1 178 517.555 7 ↓

Activity (Go SEA)

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