UCSF

ZINC70514587

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2011 21 Yes

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

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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) 2.39 4.74 -30.98 3 4 1 49 301.495 11 ↓
Mid Mid (pH 6-8) 2.39 4.53 -88.68 4 4 2 51 302.503 11 ↓

Activity (Go SEA)

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