UCSF

ZINC43781616

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2010 10 Yes

CAS Number: 18719-24-9

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) 2.50 6.52 -43.52 0 2 -1 40 141.19 6
Lo Low (pH 4.5-6) 2.50 4.54 -5.46 1 2 0 37 142.198 6

Activity (Go SEA)

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