UCSF

ZINC60473694

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Substance Information

In ZINC since Heavy atoms Benign functionality
March 26th, 2011 27 No

Popular Name: N-[(1-methyl-3,4-dihydro-2H-quinolin-6-yl)methyl]-4-oxo-2-sulfanyl-3H-quinazoline-7-carboxamide N-[(1-methyl-3,4-dihydro-2H-quin…

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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) 2.58 6.01 -41.02 2 6 -1 84 379.465 3 ↓
Mid Mid (pH 6-8) 2.13 7.34 -13.7 3 6 0 81 380.473 3 ↓
Lo Low (pH 4.5-6) 2.13 7.96 -49.06 4 6 1 82 381.481 3 ↓

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

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