UCSF

ZINC25472215

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 26 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) 3.55 7.81 -14.14 1 5 0 66 392.908 6
Mid Mid (pH 6-8) 3.55 7.89 -38.47 0 5 -1 69 391.9 6

Activity (Go SEA)

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