UCSF

ZINC36159017

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 30 Yes

Popular Name: [[(2R)-3-benzyloxy-2-hydroxy-propyl]-cyclopropyl-amino]methylBLAHone [[(2R)-3-benzyloxy-2-hydroxy-pro…

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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) 2.61 9.47 -53.93 3 6 1 80 426.562 9 ↓
Hi High (pH 8-9.5) 3.07 6.67 -51.42 2 6 0 83 425.554 9 ↓
Hi High (pH 8-9.5) 2.61 7.35 -15.3 2 6 0 78 425.554 9 ↓

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