UCSF

ZINC52445043

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 19 Yes

Popular Name: (1R)-N-cyclopentyl-N'-cyclopropyl-N-methyl-1-phenyl-ethane-1,2-diamine (1R)-N-cyclopentyl-N'-cyclopropy…

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Vendors

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) 3.48 10.57 -113.52 3 2 2 21 260.425 6 ↓
Hi High (pH 8-9.5) 3.48 8.21 -34.13 2 2 1 20 259.417 6 ↓
Hi High (pH 8-9.5) 3.48 8.27 -0.84 1 2 0 15 258.409 6 ↓
Hi High (pH 8-9.5) 3.48 10.13 -29.83 2 2 1 16 259.417 6 ↓

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

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