UCSF

ZINC34932379

Substance Information

In ZINC since Heavy atoms Benign functionality
October 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) 5.13 12.06 -55.46 0 5 -1 70 458.921 8
Lo Low (pH 4.5-6) 5.13 11.31 -11.56 1 5 0 67 459.929 8

Activity (Go SEA)

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