UCSF

ZINC16639424

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 29 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) 5.04 9.13 -11.44 0 5 0 47 409.555 7
Ref Reference (pH 7) 5.04 9.44 -10.74 0 5 0 47 409.555 7
Lo Low (pH 4.5-6) 5.04 11.45 -44.37 1 5 1 48 410.563 7
Lo Low (pH 4.5-6) 5.04 11.75 -42.78 1 5 1 48 410.563 7

Activity (Go SEA)

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