UCSF

ZINC64972588

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
July 1st, 2011 34 Yes

Popular Name: N-[3-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]phenyl]-1,2-benzothiazole-3-carboxamide N-[3-[4-(5-chloro-2-methyl-pheny…

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) 5.09 12.42 -15.53 1 6 0 66 491.016 4 ↓
Lo Low (pH 4.5-6) 5.09 12.22 -50.24 2 6 1 67 492.024 4 ↓

Activity (Go SEA)

Rings

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

No pre-computed analogs available. Try a structural similarity search.