UCSF

ZINC34722592

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 24th, 2009 17 Yes

Popular Name: (3S,4S)-N-methyl-3-pyrrolidin-1-yl-chroman-4-amine (3S,4S)-N-methyl-3-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) 1.97 4.49 -35.48 2 3 1 29 233.335 2 ↓
Hi High (pH 8-9.5) 1.97 2.94 -2.66 1 3 0 24 232.327 2 ↓
Mid Mid (pH 6-8) 1.97 5.48 -31.59 2 3 1 26 233.335 2 ↓
Mid Mid (pH 6-8) 1.97 6.55 -116.53 3 3 2 30 234.343 2 ↓

Activity (Go SEA)

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