UCSF

ZINC38570973

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 29 Yes

Popular Name: (5S,6S)-5-[(1R,9aS)-2-methyl-1,3,4,9a-tetrahydropyrido[3,4-b]indol-1-yl]-6-hydroxy-1-isohexyl-hexahy (5S,6S)-5-[(1R,9aS)-2-methyl-1,3…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.04 2.39 -48.1 2 7 -1 95 397.499 5 ↓
Mid Mid (pH 6-8) 3.41 5.25 -8.94 3 7 0 89 398.507 5 ↓
Lo Low (pH 4.5-6) 3.04 4.62 -32.43 3 7 0 96 398.507 5 ↓
Lo Low (pH 4.5-6) 3.41 7.04 -38.93 4 7 1 90 399.515 5 ↓

Activity (Go SEA)

Rings

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

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