UCSF

ZINC42944348

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 6th, 2010 17 Yes

Popular Name: (1S,2S)-1-(4-chlorophenyl)-1-(1-piperidyl)propan-2-amine (1S,2S)-1-(4-chlorophenyl)-1-(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) 2.72 5.81 -43.77 3 2 1 31 253.797 3 ↓
Lo Low (pH 4.5-6) 2.72 7.28 -118.59 4 2 2 32 254.805 3 ↓

Activity (Go SEA)

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