UCSF

ZINC37919492

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 19th, 2009 19 Yes

Popular Name: 3-[(4H-1,2,4-triazol-3-ylmethylamino)methyl]quinolin-2-ol 3-[(4H-1,2,4-triazol-3-ylmethyla…

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Vendors

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) -0.39 4.39 -42.6 4 6 1 91 256.289 4 ↓
Hi High (pH 8-9.5) -0.39 3.03 -16.58 3 6 0 86 255.281 4 ↓
Lo Low (pH 4.5-6) -0.39 4.23 -39.15 3 6 0 89 255.281 4 ↓

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

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