UCSF

ZINC20119097

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 29 Yes

Popular Name: 1-[(3-methyl-2-pyridyl)methyl]-6-[[(1R)-1-phenylethyl]amino]-5H-imidazo[5,4-e][1,3]diazepine-4,8-dio 1-[(3-methyl-2-pyridyl)methyl]-6…

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Download: MOL2 SDF SMILES Flexibase

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) 2.66 10.31 -58.55 3 8 1 110 389.439 5 ↓
Mid Mid (pH 6-8) 2.66 10.08 -22.4 2 8 0 106 388.431 5 ↓
Mid Mid (pH 6-8) 2.66 10.33 -43.49 3 8 1 107 389.439 5 ↓
Lo Low (pH 4.5-6) 2.66 10.73 -112.25 4 8 2 111 390.447 5 ↓

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Rings

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

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