UCSF

ZINC33362321

Substance Information

In ZINC since Heavy atoms Benign functionality
July 7th, 2009 29 Yes

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) 4.36 9.24 -13.57 1 5 0 50 402.42 6
Lo Low (pH 4.5-6) 4.36 11.55 -82.69 3 5 2 53 404.436 6

Activity (Go SEA)

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