UCSF

ZINC04880334

Substance Information

In ZINC since Heavy atoms Benign functionality
January 9th, 2006 21 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) 3.32 1.36 -10.29 2 5 0 79 395.344 5
Hi High (pH 8-9.5) 3.32 0.66 -39.23 1 5 -1 81 394.336 5

Activity (Go SEA)

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