UCSF

ZINC59973341

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2011 27 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) 4.76 12.03 -101.82 4 2 2 32 358.529 5
Mid Mid (pH 6-8) 4.76 10.79 -45.71 3 2 1 31 357.521 5

Activity (Go SEA)

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