UCSF

ZINC57915760

Substance Information

In ZINC since Heavy atoms Benign functionality
January 27th, 2011 25 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) 1.74 4.7 -12.52 0 5 0 40 369.334 8
Lo Low (pH 4.5-6) 1.74 6.84 -39.82 1 5 1 41 370.342 8

Activity (Go SEA)

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