UCSF

ZINC52754155

Substance Information

In ZINC since Heavy atoms Benign functionality
November 13th, 2010 24 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) 3.32 9.94 -11.86 0 5 0 49 330.476 3
Mid Mid (pH 6-8) 3.32 10.42 -35.32 1 5 1 51 331.484 3

Activity (Go SEA)

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