UCSF

ZINC16735065

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Substance Information

In ZINC since Heavy atoms Benign functionality
September 6th, 2008 38 No

Popular Name: (5S)-1-(2-diethylaminoethyl)-4-(2,3-dihydro-1,4-benzodioxine-6-carbonyl)-3-hydroxy-5-(3,4,5-trimetho (5S)-1-(2-diethylaminoethyl)-4-(…

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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) 2.30 9.63 -78.3 1 10 0 111 526.586 11 ↓
Hi High (pH 8-9.5) 2.30 7.4 -61.32 0 10 -1 110 525.578 11 ↓
Mid Mid (pH 6-8) 2.75 8.52 -64.03 2 10 1 108 527.594 10 ↓
Mid Mid (pH 6-8) 1.72 9.53 -70.07 1 10 1 105 527.594 11 ↓

Activity (Go SEA)

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