UCSF

ZINC19532061

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 30 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) 3.08 9.64 -48.63 1 6 1 45 415.554 10
Mid Mid (pH 6-8) 3.08 7.32 -10.57 0 6 0 43 414.546 10

Activity (Go SEA)

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