UCSF

ZINC65501375

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 23 Yes

Popular Name: 2-[(2-isopropylthiazol-4-yl)methyl-methyl-amino]-3,5,6,7,8,9-hexahydropyrimido[4,5-d]azepin-4-one 2-[(2-isopropylthiazol-4-yl)meth…

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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) 1.80 7.48 -49.61 3 6 1 78 334.469 4 ↓
Hi High (pH 8-9.5) 2.25 5.71 -61.96 2 6 0 82 333.461 4 ↓

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

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