UCSF

ZINC00927496

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 34 Yes

Popular Name: (1-tert-butyltetrazol-5-yl)methyl-[(2-keto-7-methoxy-1H-quinolin-3-yl)methyl]-(3-morpholinopropyl)am (1-tert-butyltetrazol-5-yl)methy…

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Annotations

Vendors

    None

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) 1.14 5.66 -55.16 2 10 1 103 470.598 10 ↓
Hi High (pH 8-9.5) 1.14 3.32 -17.25 1 10 0 101 469.59 10 ↓
Mid Mid (pH 6-8) 1.14 5.91 -50.89 2 10 1 103 470.598 10 ↓
Lo Low (pH 4.5-6) 1.14 7.75 -123.62 3 10 2 104 471.606 10 ↓

Activity (Go SEA)

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