UCSF

ZINC39980666

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 33 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) 3.59 0.73 -19.35 3 9 0 134 482.543 8
Mid Mid (pH 6-8) 3.59 0.79 -51.6 2 9 -1 136 481.535 8

Activity (Go SEA)

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