UCSF

ZINC20437171

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2008 29 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) 5.08 12.15 -12.86 1 4 0 28 472.869 9
Mid Mid (pH 6-8) 5.08 14.47 -48.94 2 4 1 29 473.877 9

Activity (Go SEA)

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