UCSF

ZINC42781585

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 2010 18 Yes

Popular Name: (2S)-N-[[(2S,3aS,7aS)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-2-yl]methyl]-N,3,3-trimethyl-butan-2-amin (2S)-N-[[(2S,3aS,7aS)-2,3,3a,4,5…

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) 4.95 8.97 -108.34 3 2 2 21 254.462 4 ↓
Hi High (pH 8-9.5) 4.95 7.77 -29.68 2 2 1 16 253.454 4 ↓
Hi High (pH 8-9.5) 4.95 7.23 -31.76 2 2 1 20 253.454 4 ↓

Activity (Go SEA)

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