UCSF

ZINC34234265

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 13th, 2009 13 Yes

Popular Name: [(3S,4R)-4-phenylpyrrolidin-3-yl]methanamine [(3S,4R)-4-phenylpyrrolidin-3-yl…

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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) 1.20 2.69 -114.09 5 2 2 44 178.279 2 ↓
Mid Mid (pH 6-8) 1.20 2.31 -39.55 4 2 1 43 177.271 2 ↓
Mid Mid (pH 6-8) 1.20 1.23 -41.42 4 2 1 40 177.271 2 ↓

Activity (Go SEA)

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