UCSF

ZINC36125591

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 29 Yes

Popular Name: 8-(3-methyl-1H-1,2,4-triazol-5-yl)-2-(2-pyridylmethyl)pyrido[4,3-b][1,6]naphthyridine-1,9-dione 8-(3-methyl-1H-1,2,4-triazol-5-y…

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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) 0.71 9.76 -21.28 1 9 0 111 385.387 3 ↓
Hi High (pH 8-9.5) 0.71 9.59 -54.9 0 9 -1 110 384.379 3 ↓
Lo Low (pH 4.5-6) 0.71 10.49 -57.24 2 9 1 113 386.395 3 ↓
Lo Low (pH 4.5-6) 0.71 10.25 -51.43 2 9 1 113 386.395 3 ↓

Activity (Go SEA)

Rings

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

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