UCSF

ZINC50532990

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2010 28 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) 1.62 4.87 -49.72 2 8 -1 119 397.436 5
Mid Mid (pH 6-8) 1.62 4.87 -16.98 3 8 0 117 398.444 5

Activity (Go SEA)

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