UCSF

ZINC19453623

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 1st, 2008 31 Yes

Popular Name: 2-isopropyl-7-[(3-methoxy-4-prop-2-ynoxy-phenyl)methyl]-4-pyrrolidin-1-yl-6,8-dihydro-5H-pyrido[3,4- 2-isopropyl-7-[(3-methoxy-4-prop…

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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) 3.22 12.29 -116.37 2 6 2 53 422.573 7 ↓
Hi High (pH 8-9.5) 3.22 9.55 -13.09 0 6 0 51 420.557 7 ↓
Hi High (pH 8-9.5) 3.22 9.9 -31.93 1 6 1 52 421.565 7 ↓
Mid Mid (pH 6-8) 3.22 11.94 -56.02 1 6 1 52 421.565 7 ↓

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

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