UCSF

ZINC15920188

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2008 27 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) 3.35 5.57 -14.73 2 5 0 78 385.485 6
Mid Mid (pH 6-8) 2.77 6.23 -22.31 1 5 0 75 385.485 6

Activity (Go SEA)

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