UCSF

ZINC18193728

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 2008 26 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) 5.65 8.25 -44.74 0 5 -1 63 479.319 6
Lo Low (pH 4.5-6) 5.65 8.79 -15.99 1 5 0 60 480.327 6

Activity (Go SEA)

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