UCSF

ZINC16490167

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2008 32 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) 7.74 14.4 -9.84 1 4 0 50 478.404 4
Ref Reference (pH 7) 7.25 14.3 -46.11 0 4 -1 49 477.396 5

Activity (Go SEA)

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