UCSF

ZINC05045399

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2006 31 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) 2.56 9.11 -52.2 2 7 1 84 425.505 6
Mid Mid (pH 6-8) 1.97 9.9 -63.42 1 7 1 81 425.505 6

Activity (Go SEA)

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