UCSF

ZINC61362378

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2011 21 Yes

Popular Name: (2S)-1-[[(4R)-4,5,6,7-tetrahydrobenzothiophen-4-yl]amino]-3-[[(2S)-tetrahydrofuran-2-yl]methoxy]prop (2S)-1-[[(4R)-4,5,6,7-tetrahydro…

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) 0.90 4.27 -44.02 3 4 1 55 312.455 7 ↓
Hi High (pH 8-9.5) 0.90 3.2 -8.84 2 4 0 51 311.447 7 ↓

Activity (Go SEA)

Rings

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

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