UCSF

ZINC59646216

Substance Information

In ZINC since Heavy atoms Benign functionality
March 8th, 2011 29 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) 0.82 5.77 -53.28 2 8 -1 109 395.439 4
Lo Low (pH 4.5-6) 0.82 3.82 -14.97 3 8 0 106 396.447 4

Activity (Go SEA)

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