UCSF

ZINC69493336

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 25th, 2011 23 Yes

Popular Name: 4-(2-isopropyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)quinazoline 4-(2-isopropyl-1-methyl-6,7-dihy…

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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) 2.88 11.13 -31.2 1 5 1 48 308.409 2 ↓
Hi High (pH 8-9.5) 2.88 10.57 -12.35 0 5 0 47 307.401 2 ↓
Lo Low (pH 4.5-6) 2.88 11.56 -79.99 2 5 2 49 309.417 2 ↓
Lo Low (pH 4.5-6) 2.88 11.59 -72.03 2 5 2 49 309.417 2 ↓

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Rings

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

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