UCSF

ZINC40208001

Substance Information

In ZINC since Heavy atoms Benign functionality
April 3rd, 2010 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) 4.67 11.07 -13.32 1 4 0 47 369.896 7
Mid Mid (pH 6-8) 4.67 11.36 -36.42 2 4 1 48 370.904 7

Activity (Go SEA)

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