UCSF

ZINC35852626

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) 2.27 11.17 -100.02 2 6 2 46 388.487 4
Hi High (pH 8-9.5) 2.27 6.49 -8.69 0 6 0 43 386.471 4
Mid Mid (pH 6-8) 2.27 8.81 -46.14 1 6 1 44 387.479 4

Activity (Go SEA)

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