UCSF

ZINC08467830

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 26th, 2006 29 No

Popular Name: 1-(3-dimethylaminopropyl)-4-[(2,5-dimethylphenyl)-hydroxy-methylene]-5-(4-pyridyl)pyrrolidine-2,3-di 1-(3-dimethylaminopropyl)-4-[(2,…

Find On: PubMed — Wikipedia — Google

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) 2.21 10.51 -74.52 1 6 0 78 393.487 7 ↓
Mid Mid (pH 6-8) 1.63 0.98 -47.32 1 6 1 71 394.495 7 ↓
Lo Low (pH 4.5-6) 2.66 1.42 -109.94 3 6 2 76 395.503 6 ↓
Lo Low (pH 4.5-6) 1.63 1.09 -99.66 2 6 2 73 395.503 7 ↓

Activity (Go SEA)

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