UCSF

ZINC36785110

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2009 15 Yes

Popular Name: (3R,4S)-N3-[(1S)-1-cyclopropylethyl]-N3-methyl-heptane-3,4-diamine (3R,4S)-N3-[(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) 2.71 6.37 -109.05 4 2 2 32 214.397 7 ↓
Mid Mid (pH 6-8) 2.71 6.08 -28.86 3 2 1 30 213.389 7 ↓

Activity (Go SEA)

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