UCSF

ZINC39990559

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 35 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) 3.60 11.65 -66.46 3 9 1 99 480.589 11
Hi High (pH 8-9.5) 3.60 9.44 -25.33 2 9 0 98 479.581 11

Activity (Go SEA)

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