UCSF

ZINC67439121

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
September 9th, 2011 25 Yes

Popular Name: (1S)-N-[(3,5-dichloro-2-methoxy-phenyl)methyl]-1-[4-(1,2,4-triazol-1-yl)phenyl]ethanamine (1S)-N-[(3,5-dichloro-2-methoxy-…

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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) 3.52 11.84 -53.9 2 5 1 57 378.283 6 ↓
Mid Mid (pH 6-8) 3.52 10.7 -10.28 1 5 0 52 377.275 6 ↓

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

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