UCSF

ZINC25059150

Substance Information

In ZINC since Heavy atoms Benign functionality
January 24th, 2009 32 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) 2.47 9.66 -17.73 0 8 0 87 432.528 7
Mid Mid (pH 6-8) 2.47 11.99 -58.92 1 8 1 88 433.536 7

Activity (Go SEA)

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