UCSF

ZINC68947772

Substance Information

In ZINC since Heavy atoms Benign functionality
October 16th, 2011 15 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) 2.91 8.94 -4.48 0 2 0 16 224.735 5
Mid Mid (pH 6-8) 2.91 9.44 -29.29 1 2 1 17 225.743 5

Activity (Go SEA)

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