UCSF

ZINC01889816

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Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2004 28 Yes

Popular Name: 3-[5-(4-bromophenyl)-7-(2,4-dichlorophenyl)-4,7-dihydro[1,2,4]triazolo[1,5-a]pyrimidin-2-yl]-1-propanol 3-[5-(4-bromophenyl)-7-(2,4-dich…

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Other Names:

MFCD03847454

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) 5.11 11.19 -13.11 1 5 0 63 480.193 5 ↓
Mid Mid (pH 6-8) 5.11 11.66 -32.79 2 5 1 65 481.201 5 ↓
Lo Low (pH 4.5-6) 5.11 11.52 -40.28 2 5 1 65 481.201 5 ↓

Activity (Go SEA)

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