UCSF

ZINC68948644

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2011 15 Yes

Popular Name: (3S)-N1-cyclopropyl-N3-(cyclopropylmethyl)-N3-ethyl-butane-1,3-diamine (3S)-N1-cyclopropyl-N3-(cyclopro…

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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) 2.34 8.28 -100.03 3 2 2 21 212.381 8 ↓
Mid Mid (pH 6-8) 2.34 6.56 -34.07 2 2 1 20 211.373 8 ↓

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

No pre-computed analogs available. Try a structural similarity search.