UCSF

ZINC22090208

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 32 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) 3.01 7.36 -16.15 2 8 0 104 474.348 8
Mid Mid (pH 6-8) 3.46 8.45 -53.71 2 8 0 108 474.348 8

Activity (Go SEA)

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