UCSF

ZINC65496634

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Substance Information

In ZINC since Heavy atoms Benign functionality
July 17th, 2011 25 No

Popular Name: 5-[2-[(3R,5S)-5-cyclopropyl-2-phenyl-1,2,4-triazolidin-3-yl]phenyl]-1H-tetrazole 5-[2-[(3R,5S)-5-cyclopropyl-2-ph…

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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) 3.24 7.03 -31.12 3 7 0 85 333.399 4 ↓
Hi High (pH 8-9.5) 3.24 5.56 -43.86 2 7 -1 80 332.391 4 ↓
Lo Low (pH 4.5-6) 3.24 7.12 -32.22 4 7 1 86 334.407 4 ↓

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

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