UCSF

ZINC35368222

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 20 No

Popular Name: N-[(2-chloro-5-nitro-phenyl)methyl]-3-(cyclopropylmethoxy)propan-1-amine N-[(2-chloro-5-nitro-phenyl)meth…

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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) 3.19 8.82 -47.88 2 5 1 72 299.778 9 ↓
Hi High (pH 8-9.5) 3.19 7.43 -5.85 1 5 0 67 298.77 9 ↓

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

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