UCSF

ZINC39687713

Substance Information

In ZINC since Heavy atoms Benign functionality
March 3rd, 2010 35 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 0.62 9.22 -107.57 4 9 2 109 482.629 4
Mid Mid (pH 6-8) 0.62 8.75 -59.37 3 9 1 108 481.621 4

Activity (Go SEA)

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