UCSF

ZINC12360531

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Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2008 32 No

Popular Name: 1-(4-amino-1,2,5-oxadiazol-3-yl)-N'-(3,4-dihydro-1(2H)-naphthalenylidene)-5-(1-piperidinylmethyl)-1H-1,2,3-triazole-4-carbohydrazide 1-(4-amino-1,2,5-oxadiazol-3-yl)…

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Other Names:

MFCD01113295

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) 2.41 8.43 -31.71 4 11 1 142 436.5 5 ↓
Ref Reference (pH 7) 2.41 8.67 -31.15 4 11 1 142 436.5 5 ↓
Hi High (pH 8-9.5) 2.41 6.4 -10.09 3 11 0 140 435.492 5 ↓
Hi High (pH 8-9.5) 2.41 6.15 -10.19 3 11 0 140 435.492 5 ↓

Activity (Go SEA)

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