UCSF

ZINC55433624

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2010 22 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) 0.94 2.88 -8.45 2 6 0 74 322.796 4
Hi High (pH 8-9.5) 1.13 2.57 -50.23 1 6 -1 80 321.788 4

Activity (Go SEA)

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