UCSF

ZINC16643319

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 34 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) 3.63 5.77 -21.97 2 9 0 112 486.546 10
Hi High (pH 8-9.5) 3.63 5.87 -53.77 1 9 -1 114 485.538 10

Activity (Go SEA)

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