UCSF

ZINC42040876

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 24th, 2010 11 No

Popular Name: 3-(1H-1,2,4-triazol-3-yl)thiophen-2-amine 3-(1H-1,2,4-triazol-3-yl)thiophe…

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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) -0.21 3.03 -13.47 2 4 0 65 166.209 1 ↓
Hi High (pH 8-9.5) -0.21 3.01 -40.41 1 4 -1 64 165.201 1 ↓
Mid Mid (pH 6-8) -0.21 2.81 -12.69 2 4 0 65 166.209 1 ↓
Mid Mid (pH 6-8) 0.70 2.86 -9.56 3 4 0 68 166.209 1 ↓

Activity (Go SEA)

Rings

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

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