UCSF

ZINC20717231

Substance Information

In ZINC since Heavy atoms Benign functionality
November 27th, 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) 4.07 12.11 -17.4 1 7 0 85 477.977 5
Ref Reference (pH 7) 3.88 14.55 -16.58 1 7 0 82 477.977 5

Activity (Go SEA)

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