UCSF

ZINC39379268

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 27 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) 5.66 9.91 -10.76 0 4 0 38 426.358 3
Mid Mid (pH 6-8) 5.66 12.21 -43.62 1 4 1 39 427.366 3
Mid Mid (pH 6-8) 5.66 10.39 -9.62 0 4 0 38 426.358 3

Activity (Go SEA)

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