UCSF

ZINC05551444

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2006 25 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) 6.81 11.12 -8.23 1 3 0 45 348.471 4
Mid Mid (pH 6-8) 6.32 11.36 -43.79 0 3 -1 44 347.463 5

Activity (Go SEA)

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