UCSF

ZINC53494057

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 22nd, 2010 15 Yes

Popular Name: (2R)-N1-cyclopentyl-N2-(cyclopropylmethyl)-N2-methyl-propane-1,2-diamine (2R)-N1-cyclopentyl-N2-(cyclopro…

Find On: PubMed — Wikipedia — Google

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) 2.73 8.33 -113.67 3 2 2 21 212.381 6 ↓
Hi High (pH 8-9.5) 2.73 7.23 -29.21 2 2 1 16 211.373 6 ↓
Mid Mid (pH 6-8) 2.73 6.37 -33.52 2 2 1 20 211.373 6 ↓

Activity (Go SEA)

Rings

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

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