UCSF

ZINC70514573

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 20 Yes

Popular Name: (2S,4S)-4-[[(1S)-1-cyclopropylethyl]-(2-methoxyethyl)amino]-2-(ethylamino)-2-methyl-pentan-1-ol (2S,4S)-4-[[(1S)-1-cyclopropylet…

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) 2.09 4.19 -32.01 3 4 1 49 287.468 11 ↓
Mid Mid (pH 6-8) 2.09 4.27 -88.71 4 4 2 51 288.476 11 ↓

Activity (Go SEA)

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