UCSF

ZINC21637866

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2008 22 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) 1.66 6.98 -44.76 2 6 1 63 304.418 3
Mid Mid (pH 6-8) 1.66 4.51 -9.46 1 6 0 61 303.41 3

Activity (Go SEA)

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