UCSF

ZINC34931752

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 38 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) 6.69 14.33 -58.27 0 6 -1 79 512.626 13
Lo Low (pH 4.5-6) 6.69 13.59 -12 1 6 0 76 513.634 13

Activity (Go SEA)

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