UCSF

ZINC35720790

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 19 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) 2.24 7.92 -43.91 1 4 -1 69 264.345 3
Lo Low (pH 4.5-6) 2.24 6.18 -6.81 2 4 0 66 265.353 3

Activity (Go SEA)

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