UCSF

ZINC60578695

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
March 28th, 2011 28 Yes

Popular Name: 2-[3-chloro-4-[2-[[(1R,2S)-2-hydroxy-2-(4-hydroxyphenyl)-1-methyl-ethyl]amino]ethyl]anilino]-2-methy 2-[3-chloro-4-[2-[[(1R,2S)-2-hyd…

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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) 1.10 5.23 -76.26 5 6 0 109 406.91 9 ↓
Hi High (pH 8-9.5) 1.10 4.03 -44.72 4 6 -1 105 405.902 9 ↓
Lo Low (pH 4.5-6) 1.10 3.29 -49.58 6 6 1 106 407.918 9 ↓

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

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