UCSF

ZINC15685812

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2008 33 No

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) 7.27 16.61 -12.26 1 5 0 75 449.535 6
Mid Mid (pH 6-8) 7.27 17 -34.24 2 5 1 76 450.543 6

Activity (Go SEA)

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