UCSF

ZINC13718428

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 23rd, 2008 17 Yes

Popular Name: (2S)-2-phenyl-N-(4-pyridylmethyl)propan-1-amine (2S)-2-phenyl-N-(4-pyridylmethyl…

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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) 2.81 6.41 -4.84 1 2 0 25 226.323 5 ↓
Lo Low (pH 4.5-6) 2.81 8.09 -106.54 3 2 2 31 228.339 5 ↓
Lo Low (pH 4.5-6) 2.81 6.84 -35.13 2 2 1 26 227.331 5 ↓

Activity (Go SEA)

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