UCSF

ZINC17167102

Substance Information

In ZINC since Heavy atoms Benign functionality
September 16th, 2008 30 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) 4.96 10.02 -13.71 0 6 0 66 415.474 4
Lo Low (pH 4.5-6) 4.96 11.04 -35.07 1 6 1 67 416.482 4

Activity (Go SEA)

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