UCSF

ZINC58409966

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2011 26 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) 2.78 6.85 -9.7 1 5 0 55 374.506 7
Lo Low (pH 4.5-6) 2.78 8.91 -45.93 2 5 1 56 375.514 7

Activity (Go SEA)

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