UCSF

ZINC20358169

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 25 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) 3.86 9.26 -45.79 2 4 1 55 336.411 3
Hi High (pH 8-9.5) 3.86 10.02 -33.92 1 4 0 58 335.403 3

Activity (Go SEA)

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