UCSF

ZINC08903215

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Substance Information

In ZINC since Heavy atoms Benign functionality
August 1st, 2007 34 No

Popular Name: 5-(4-bromophenyl)-1-(3-dimethylaminopropyl)-4-[hydroxy-(4-isobutoxy-2-methyl-phenyl)-methylene]-pyrr 5-(4-bromophenyl)-1-(3-dimethyla…

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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) 5.04 13.97 -71.09 1 6 0 74 529.475 10 ↓
Mid Mid (pH 6-8) 4.46 13.56 -45.53 1 6 1 68 530.483 10 ↓
Mid Mid (pH 6-8) 5.04 13.25 -43.09 2 6 1 71 530.483 10 ↓

Activity (Go SEA)

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