UCSF

ZINC22259152

Substance Information

In ZINC since Heavy atoms Benign functionality
December 14th, 2008 27 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) 2.47 5.76 -22.07 3 8 0 109 367.409 5
Hi High (pH 8-9.5) 2.47 6.79 -58.32 2 8 -1 111 366.401 5

Activity (Go SEA)

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