UCSF

ZINC35017649

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 29 No

Popular Name: (2Z)-2-[[(4-fluorophenyl)methylamino]-hydroxy-methylene]-8-(2H-triazol-4-ylmethyl)-7,9-dihydro-6H-py (2Z)-2-[[(4-fluorophenyl)methyla…

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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) -0.23 -1.35 -15.56 3 10 0 133 399.386 5 ↓
Mid Mid (pH 6-8) -0.23 -0.54 -54.7 2 10 -1 135 398.378 5 ↓
Lo Low (pH 4.5-6) -0.23 -0.16 -38.85 4 10 1 134 400.394 5 ↓

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

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