UCSF

ZINC16684176

Substance Information

In ZINC since Heavy atoms Benign functionality
September 5th, 2008 27 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) 5.95 9.33 -9.61 1 5 0 64 423.321 5
Ref Reference (pH 7) 5.46 8.87 -37.48 0 5 -1 63 422.313 6

Activity (Go SEA)

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