UCSF

ZINC34932619

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) 5.18 11.99 -54.28 0 6 -1 83 464.925 9
Lo Low (pH 4.5-6) 5.18 11.25 -11.22 1 6 0 80 465.933 9

Activity (Go SEA)

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