UCSF

ZINC38579442

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2010 34 Yes

Popular Name: (1R)-1-(3-chloro-6-methoxy-4-quinolyl)-2-[4-(2,3-dihydro-[1,4]dioxino[2,3-c]pyridin-7-ylmethylamino) (1R)-1-(3-chloro-6-methoxy-4-qui…

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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) 2.91 6.38 -118.63 4 8 2 95 487 7 ↓
Mid Mid (pH 6-8) 2.91 5.61 -88.42 4 8 2 91 487 7 ↓
Mid Mid (pH 6-8) 2.91 5.21 -43.56 3 8 1 90 485.992 7 ↓

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