UCSF

ZINC98209617

Draw Identity 99% 90% 80% 70%

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2014 39 Yes

Popular Name: 6-(2-chloro-4-thiazol-5-yl-phenyl)-8-ethyl-2-[4-(4-methylpiperazin-1-yl)anilino]pyrido[2,3-d]pyrimid 6-(2-chloro-4-thiazol-5-yl-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) 6.23 17.08 -50.99 2 8 1 80 559.119 6 ↓
Hi High (pH 8-9.5) 6.23 14.72 -13.89 1 8 0 79 558.111 6 ↓
Mid Mid (pH 6-8) 6.23 17.84 -127.12 3 8 2 82 560.127 6 ↓

Activity (Go SEA)

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

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