UCSF

ZINC22970687

Substance Information

In ZINC since Heavy atoms Benign functionality
December 22nd, 2008 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) 3.27 7.82 -11.15 1 6 0 59 396.535 7
Mid Mid (pH 6-8) 3.27 9.98 -41.69 2 6 1 61 397.543 7

Activity (Go SEA)

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