UCSF

ZINC35017594

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 31 No

Popular Name: (2Z,9S)-9-(dimethylaminomethyl)-2-[[(4-fluorophenyl)methylamino]-hydroxy-methylene]-8-methylsulfonyl (2Z,9S)-9-(dimethylaminomethyl)-…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -0.12 2.15 -61.59 2 10 0 132 453.496 6 ↓
Hi High (pH 8-9.5) -0.12 0.44 -50.52 1 10 -1 131 452.488 6 ↓
Mid Mid (pH 6-8) -0.12 1.45 -42.51 3 10 1 130 454.504 6 ↓
Lo Low (pH 4.5-6) -0.12 3.16 -106.88 4 10 2 131 455.512 6 ↓

Activity (Go SEA)

Rings

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