UCSF

ZINC36146301

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 27 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) 3.62 9.77 -47.56 2 6 1 73 395.907 12
Hi High (pH 8-9.5) 3.62 7.54 -10.51 1 6 0 71 394.899 12

Activity (Go SEA)

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