UCSF

ZINC05491405

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2006 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) 3.89 11.71 -59.92 0 4 -1 60 386.402 5
Mid Mid (pH 6-8) 4.34 1.26 -17.66 1 4 0 57 387.41 4

Activity (Go SEA)

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