UCSF

ZINC67973809

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 18th, 2011 26 Yes

Popular Name: (3S)-1-[(2-fluorophenyl)methyl]-3-hydroxy-3-[[methyl-[2-(1H-pyrazol-4-yl)ethyl]amino]methyl]piperidi (3S)-1-[(2-fluorophenyl)methyl]-…

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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) 1.15 7.26 -33 3 6 1 74 361.441 7 ↓
Hi High (pH 8-9.5) 1.15 5.05 -13.63 2 6 0 72 360.433 7 ↓

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

No pre-computed analogs available. Try a structural similarity search.