UCSF

ZINC20255624

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 18 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) 0.83 2.29 -48.44 3 5 1 66 276.426 4
Hi High (pH 8-9.5) 0.83 1.87 -58.55 2 5 0 68 275.418 4

Activity (Go SEA)

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