UCSF

ZINC20118427

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2008 35 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) 1.87 8.42 -21.48 1 9 0 91 479.581 10
Mid Mid (pH 6-8) 1.87 8.9 -52.56 2 9 1 92 480.589 10

Activity (Go SEA)

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