UCSF

ZINC59207944

Substance Information

In ZINC since Heavy atoms Benign functionality
February 27th, 2011 19 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) 6.29 10.36 -50.03 1 3 -1 52 262.373 9
Lo Low (pH 4.5-6) 6.29 10.24 -35.95 2 3 0 57 263.381 9

Activity (Go SEA)

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