UCSF

ZINC05844809

Substance Information

In ZINC since Heavy atoms Benign functionality
February 17th, 2006 16 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) 2.26 4.58 -11.97 1 4 0 59 217.224 3
Mid Mid (pH 6-8) 2.26 5.59 -56.87 0 4 -1 62 216.216 3

Activity (Go SEA)

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