UCSF

ZINC18285846

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 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) 6.79 11.22 -11.16 0 4 0 37 407.583 4
Ref Reference (pH 7) 6.79 12.26 -9.96 0 4 0 37 407.583 4
Lo Low (pH 4.5-6) 6.79 11.67 -24.77 1 4 1 39 408.591 4
Lo Low (pH 4.5-6) 6.79 12.66 -23.83 1 4 1 39 408.591 4

Activity (Go SEA)

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