UCSF

ZINC36145842

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 32 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) 3.74 8.61 -45.98 2 6 1 65 449.518 11
Hi High (pH 8-9.5) 3.74 6.37 -11.89 1 6 0 64 448.51 11

Activity (Go SEA)

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