UCSF

ZINC18125833

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2008 24 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) 2.71 4.39 -45.3 0 5 -1 65 339.396 3
Ref Reference (pH 7) 2.71 4.2 -41.81 0 5 -1 65 339.396 3
Lo Low (pH 4.5-6) 2.52 6.74 -9.15 1 5 0 59 340.404 3

Activity (Go SEA)

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