UCSF

ZINC00949767

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 28th, 2004 26 Yes

Popular Name: (7S)-7-(2-chlorophenyl)-5-methyl-N-(3-pyridyl)-4,7-dihydrotetrazolo[1,5-a]pyrimidine-6-carboxamide (7S)-7-(2-chlorophenyl)-5-methyl…

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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) 2.24 7.95 -10.92 2 8 0 98 367.8 3 ↓
Hi High (pH 8-9.5) 2.43 7.27 -40.93 1 8 -1 104 366.792 3 ↓
Lo Low (pH 4.5-6) 2.24 0.36 -39.2 3 8 1 98 368.808 3 ↓
Lo Low (pH 4.5-6) 2.42 7.74 -37.54 3 8 1 102 368.808 3 ↓

Activity (Go SEA)

Rings

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

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