UCSF

ZINC49888695

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2010 23 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) 6.91 9.63 -8.36 2 4 0 67 322.445 13
Hi High (pH 8-9.5) 6.91 10.71 -50.19 1 4 -1 70 321.437 13

Activity (Go SEA)

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