UCSF

ZINC19966650

Substance Information

In ZINC since Heavy atoms Benign functionality
November 14th, 2008 20 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) 0.82 1.09 -63.84 4 6 1 96 274.3 2
Hi High (pH 8-9.5) 0.96 -0.66 -87.64 3 6 0 99 273.292 2

Activity (Go SEA)

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