UCSF

ZINC49568149

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 6th, 2010 21 Yes

Popular Name: 2-[[[(1S,8R)-2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl]amino]methyl]-3H-quinazolin-4-one 2-[[[(1S,8R)-2,3,5,6,7,8-hexahyd…

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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) 1.19 5.18 -42.08 3 5 1 62 285.371 3 ↓
Hi High (pH 8-9.5) 1.19 2.67 -9.51 2 5 0 61 284.363 3 ↓
Mid Mid (pH 6-8) 1.64 3.78 -95.53 3 5 1 70 285.371 3 ↓

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

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