UCSF

ZINC66180615

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
August 20th, 2011 27 Yes

Popular Name: benzenemethanamine, a-ethyl-4-(2-phenoxyethoxy)-N-(phenylmethyl)- benzenemethanamine, a-ethyl-4-(2…

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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) 4.79 12.66 -43.02 2 3 1 35 362.493 10 ↓
Hi High (pH 8-9.5) 4.79 11.44 -7.74 1 3 0 30 361.485 10 ↓

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

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