UCSF

ZINC16952484

Substance Information

In ZINC since Heavy atoms Benign functionality
September 11th, 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) 4.28 12.22 -14.36 0 3 0 47 351.405 5
Mid Mid (pH 6-8) 5.48 10.63 -60.74 0 3 -1 53 350.397 4

Activity (Go SEA)

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