UCSF

ZINC03822992

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2005 29 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) 2.67 -4.48 -28.42 4 8 0 115 402.543 16
Mid Mid (pH 6-8) 2.67 -3.99 -86.75 6 8 2 118 404.559 16
Mid Mid (pH 6-8) 2.67 -4.27 -54.86 5 8 1 116 403.551 16

Activity (Go SEA)

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