UCSF

ZINC05887654

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2006 21 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) 4.48 8.58 -48.26 3 3 1 45 345.319 5
Mid Mid (pH 6-8) 4.48 8.21 -5.71 2 3 0 44 344.311 5

Activity (Go SEA)

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