UCSF

ZINC26009546

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 31 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) 4.36 10.49 -54.01 3 7 1 81 448.971 11
Hi High (pH 8-9.5) 4.36 8.17 -20.52 2 7 0 80 447.963 11

Activity (Go SEA)

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