UCSF

ZINC22066684

Substance Information

In ZINC since Heavy atoms Benign functionality
December 12th, 2008 23 No

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) -1.63 2.61 -240.64 2 12 -3 191 364.171 7
Mid Mid (pH 6-8) -1.63 1.47 -128.13 3 12 -2 189 365.179 7

Activity (Go SEA)

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