UCSF

ZINC35863561

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 28 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) 2.94 6.92 -13.34 0 6 0 49 387.476 8
Lo Low (pH 4.5-6) 2.94 9.19 -51.7 1 6 1 51 388.484 8

Activity (Go SEA)

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