UCSF

ZINC08983176

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2007 31 No

Popular Name: 5-(4-allyloxyphenyl)-1-(2-dimethylaminoethyl)-4-[(2,4-dimethylthiazol-5-yl)-hydroxy-methylene]-pyrro 5-(4-allyloxyphenyl)-1-(2-dimeth…

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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) 2.22 9.15 -69.56 1 7 0 87 441.553 9 ↓
Hi High (pH 8-9.5) 2.22 6.61 -58.02 0 7 -1 86 440.545 9 ↓
Mid Mid (pH 6-8) 2.66 9.38 -45.72 2 7 1 84 442.561 8 ↓
Mid Mid (pH 6-8) 1.63 9.68 -50 1 7 1 81 442.561 9 ↓

Activity (Go SEA)

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