UCSF

ZINC34989623

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 21 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) 3.71 10.61 -50.17 1 5 1 67 291.371 6
Hi High (pH 8-9.5) 3.71 8.62 -13.32 0 5 0 66 290.363 6

Activity (Go SEA)

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