UCSF

ZINC22769983

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2008 20 No

Popular Name: 4-chloro-2-[(E)-[1,2,4]triazolo[4,5-a]pyridin-3-ylmethyliminomethyl]phenol 4-chloro-2-[(E)-[1,2,4]triazolo[…

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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) 2.70 7.25 -50.62 2 5 1 64 287.73 3 ↓
Hi High (pH 8-9.5) 2.70 7.02 -56.59 0 5 -1 66 285.714 3 ↓
Mid Mid (pH 6-8) 1.97 7.54 -56.74 2 5 1 62 287.73 3 ↓
Mid Mid (pH 6-8) 2.70 6.22 -19.56 1 5 0 63 286.722 3 ↓

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

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