UCSF

ZINC39869785

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 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) 4.22 6.39 -21.01 2 7 0 108 355.375 4
Mid Mid (pH 6-8) 4.22 6.17 -52.29 1 7 -1 110 354.367 4

Activity (Go SEA)

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