UCSF

ZINC19950215

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Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 18 Yes

Popular Name: 4-Chloro-2-{[(2-fluorobenzyl)amino]methyl}phenol 4-Chloro-2-{[(2-fluorobenzyl)ami…

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Other Names:

MFCD11145691

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) 3.61 6.03 -40.61 3 2 1 37 266.723 4 ↓
Hi High (pH 8-9.5) 3.61 5.34 -40.58 1 2 -1 35 264.707 4 ↓
Hi High (pH 8-9.5) 3.61 4.55 -7.53 2 2 0 32 265.715 4 ↓
Hi High (pH 8-9.5) 3.61 6.81 -27.73 2 2 0 40 265.715 4 ↓

Activity (Go SEA)

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