UCSF

ZINC21275357

Substance Information

In ZINC since Heavy atoms Benign functionality
December 3rd, 2008 26 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) 3.31 8.9 -15.25 1 5 0 57 352.434 7
Mid Mid (pH 6-8) 3.31 9.31 -37.74 2 5 1 58 353.442 7

Activity (Go SEA)

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