UCSF

ZINC20898969

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 27 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) 3.38 8.57 -12.07 3 6 0 79 386.521 5
Mid Mid (pH 6-8) 3.83 7.52 -50.88 2 6 -1 82 385.513 5

Activity (Go SEA)

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