UCSF

ZINC15941236

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2008 36 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) 2.17 4.45 -56 0 11 -1 135 507.552 5
Lo Low (pH 4.5-6) 1.71 6.21 -37.15 1 11 0 132 508.56 5

Activity (Go SEA)

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