UCSF

ZINC28524747

Substance Information

In ZINC since Heavy atoms Benign functionality
March 1st, 2009 33 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) 6.54 14.66 -54.35 0 3 -1 57 453.687 1
Lo Low (pH 4.5-6) 6.54 12.7 -7.07 1 3 0 54 454.695 1

Activity (Go SEA)

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