UCSF

ZINC19991260

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 29 No

Popular Name: 2-[1-[(4-benzylpiperazin-1-yl)methyl]-2-oxo-indolin-3-ylidene]propanedinitrile 2-[1-[(4-benzylpiperazin-1-yl)me…

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) 2.55 10.74 -49.23 1 6 1 77 384.463 4 ↓
Mid Mid (pH 6-8) 2.55 8.36 -10.05 0 6 0 76 383.455 4 ↓

Activity (Go SEA)

Rings

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