UCSF

ZINC56836734

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Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2011 39 No

Popular Name: N-[(1R,2S)-3-[[(6S)-2-amino-6-(3-tert-butylphenyl)-7,8-dihydro-5H-quinazolin-6-yl]amino]-1-[(3,5-dif N-[(1R,2S)-3-[[(6S)-2-amino-6-(3…

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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) 4.19 10.68 -47.37 6 7 1 118 538.663 9 ↓
Hi High (pH 8-9.5) 4.19 9.61 -12.46 5 7 0 113 537.655 9 ↓
Lo Low (pH 4.5-6) 4.19 11.16 -114.55 7 7 2 119 539.671 9 ↓

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

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