UCSF

ZINC68948768

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Substance Information

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

Popular Name: (2S)-N1-cyclopentyl-N2-(cyclopropylmethyl)-N2-ethyl-propane-1,2-diamine (2S)-N1-cyclopentyl-N2-(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) 3.10 8.94 -111.99 3 2 2 21 226.408 7 ↓
Hi High (pH 8-9.5) 3.10 7.71 -29.23 2 2 1 16 225.4 7 ↓
Mid Mid (pH 6-8) 3.10 7.22 -33.54 2 2 1 20 225.4 7 ↓

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

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