UCSF

ZINC41576947

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
April 20th, 2010 22 Yes

Popular Name: N-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]thiophene-2-carboxamide N-[4-[(4-methylpiperazin-1-yl)me…

Find On: PubMed — Wikipedia — Google

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

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) 2.42 6.81 -41.68 2 4 1 37 316.45 4 ↓
Mid Mid (pH 6-8) 2.42 6.68 -41.25 2 4 1 37 316.45 4 ↓
Mid Mid (pH 6-8) 2.42 4.43 -8.9 1 4 0 36 315.442 4 ↓

Activity (Go SEA)

Rings

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