UCSF

ZINC59834366

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 11th, 2011 16 Yes

Popular Name: (1R,2R)-N-methyl-1-pyrrolidin-1-yl-indan-2-amine (1R,2R)-N-methyl-1-pyrrolidin-1-…

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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) 2.09 6.21 -31.37 2 2 1 16 217.336 2 ↓
Hi High (pH 8-9.5) 2.09 3.8 -2.64 1 2 0 15 216.328 2 ↓
Hi High (pH 8-9.5) 2.09 5.08 -41.44 2 2 1 20 217.336 2 ↓
Lo Low (pH 4.5-6) 2.09 7.51 -113.71 3 2 2 21 218.344 2 ↓

Activity (Go SEA)

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