UCSF

ZINC18128142

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 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) 3.98 5.66 -10.7 2 5 0 75 326.377 3
Hi High (pH 8-9.5) 4.44 4.14 -43.76 1 5 -1 78 325.369 3
Hi High (pH 8-9.5) 4.44 3.46 -45.21 1 5 -1 78 325.369 3

Activity (Go SEA)

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