UCSF

ZINC38570774

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2010 28 Yes

Popular Name: (5S,6S)-5-[(1R,9aS)-2-ethyl-1,3,4,9a-tetrahydropyrido[3,4-b]indol-1-yl]-6-hydroxy-1-[(1R)-1-methylpr (5S,6S)-5-[(1R,9aS)-2-ethyl-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) 2.70 1.19 -46.94 2 7 -1 95 383.472 4 ↓
Mid Mid (pH 6-8) 3.07 3.97 -6.54 3 7 0 89 384.48 4 ↓
Lo Low (pH 4.5-6) 2.70 1.73 -53.7 3 7 0 96 384.48 4 ↓
Lo Low (pH 4.5-6) 3.07 4.97 -49.56 4 7 1 90 385.488 4 ↓

Activity (Go SEA)

Rings

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

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