UCSF

ZINC04228221

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2005 18 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) 2.07 6.46 -46.99 0 4 -1 66 316.171 3
Mid Mid (pH 6-8) 1.48 1.33 -11.4 0 4 0 60 317.179 4

Activity (Go SEA)

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