UCSF

ZINC05235328

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 2006 29 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 1.45 7.43 -52.9 2 7 1 84 396.467 8
Mid Mid (pH 6-8) 0.86 8.13 -61.58 1 7 1 81 396.467 8

Activity (Go SEA)

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