UCSF

ZINC59588526

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2011 32 No

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) 4.79 8.89 -51.43 2 4 -1 81 441.632 1
Lo Low (pH 4.5-6) 4.79 6.92 -8.22 3 4 0 78 442.64 1

Activity (Go SEA)

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