UCSF

ZINC40116766

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 28 No

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) 2.80 6.58 -58.5 1 6 -1 88 378.404 8
Lo Low (pH 4.5-6) 2.80 5.81 -16.17 2 6 0 85 379.412 8

Activity (Go SEA)

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