UCSF

ZINC04786044

Substance Information

In ZINC since Heavy atoms Benign functionality
January 4th, 2006 24 No

Download: MOL2 SDF SMILES Flexibase

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) 3.07 7.41 -28.43 1 6 0 69 344.44 7
Mid Mid (pH 6-8) 3.35 -2.3 -49.24 1 6 1 68 345.448 7

Activity (Go SEA)

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