UCSF

ZINC24891809

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2009 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) 2.19 9.48 -23.95 1 7 0 69 482.531 5
Mid Mid (pH 6-8) 2.19 11.73 -76.88 2 7 1 70 483.539 5

Activity (Go SEA)

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