UCSF

ZINC42922804

Draw Identity 99% 90% 80% 70%

Substance Information

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

Popular Name: (2S,3S,4S)-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,3S,4S)-4-[[(1S)-2,3,4,9-tetr…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

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 0.14 -33.93 7 11 0 181 516.547 7 ↓
Mid Mid (pH 6-8) 0.61 -0.67 -50.63 6 11 -1 177 515.539 7 ↓
Lo Low (pH 4.5-6) 0.61 -1.74 -41.93 8 11 1 178 517.555 7 ↓

Activity (Go SEA)

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