UCSF

ZINC35856137

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 35 Yes

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) 4.97 14.08 -54.77 2 6 1 63 480.673 10
Hi High (pH 8-9.5) 5.15 11.51 -50.85 1 6 0 69 479.665 10

Activity (Go SEA)

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