UCSF

ZINC16638576

Substance Information

In ZINC since Heavy atoms Benign functionality
September 1st, 2008 34 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) 6.71 12.98 -13.24 0 5 0 47 453.586 8
Ref Reference (pH 7) 6.71 13.28 -12.34 0 5 0 47 453.586 8
Lo Low (pH 4.5-6) 6.71 15.32 -48.31 1 5 1 48 454.594 8
Lo Low (pH 4.5-6) 6.71 15.62 -46.59 1 5 1 48 454.594 8

Activity (Go SEA)

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