UCSF

ZINC37233581

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2009 21 Yes

Popular Name: (2S)-N1-[(1S)-1,2-bis(2-thienyl)ethyl]-N2,N2,3-trimethyl-butane-1,2-diamine (2S)-N1-[(1S)-1,2-bis(2-thienyl)…

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) 4.42 9.5 -33.29 2 2 1 16 323.551 8 ↓
Hi High (pH 8-9.5) 4.42 9.02 -2.27 1 2 0 15 322.543 8 ↓
Lo Low (pH 4.5-6) 4.42 11.07 -100.14 3 2 2 21 324.559 8 ↓

Activity (Go SEA)

Rings

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