UCSF

ZINC68789421

Substance Information

In ZINC since Heavy atoms Benign functionality
October 12th, 2011 27 Yes

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) 3.03 8.32 -22.23 0 5 0 50 394.443 6

Activity (Go SEA)

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