UCSF

ZINC58217030

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2011 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) 2.77 5.71 -13.88 2 6 0 72 395.29 6
Mid Mid (pH 6-8) 2.77 7.92 -40.08 3 6 1 73 396.298 6

Activity (Go SEA)

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