UCSF

ZINC18033228

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2008 33 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) 5.64 14.94 -14.29 0 5 0 50 434.495 3
Ref Reference (pH 7) 5.64 14.95 -11.22 0 5 0 50 434.495 3

Activity (Go SEA)

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