UCSF

ZINC10461178

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2007 32 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) 5.79 13.57 -52.65 1 6 1 56 450.584 8
Hi High (pH 8-9.5) 5.79 11.17 -13.61 0 6 0 55 449.576 8

Activity (Go SEA)

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