UCSF

ZINC63746443

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
June 5th, 2011 28 Yes

Popular Name: 4-(2H-indol-3-yl)-N-methyl-N-[(4-oxo-3H-quinazolin-2-yl)methyl]butanamide 4-(2H-indol-3-yl)-N-methyl-N-[(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) 2.81 9.16 -43.01 2 6 1 80 375.452 6 ↓
Hi High (pH 8-9.5) 3.26 6.44 -65.98 1 6 0 83 374.444 6 ↓

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

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