UCSF

ZINC16451118

Substance Information

In ZINC since Heavy atoms Benign functionality
August 28th, 2008 29 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) 6.38 12.2 -16.11 1 7 0 104 425.853 4
Mid Mid (pH 6-8) 5.89 11.76 -47.87 0 7 -1 103 424.845 5

Activity (Go SEA)

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