UCSF

ZINC19536481

Substance Information

In ZINC since Heavy atoms Benign functionality
November 3rd, 2008 19 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) 0.81 5.23 -48.66 1 5 1 47 260.317 2
Mid Mid (pH 6-8) 0.81 2.75 -11.3 0 5 0 46 259.309 2

Activity (Go SEA)

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