UCSF

ZINC40061757

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 37 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) 7.39 16.47 -14.87 0 6 0 73 496.607 8
Lo Low (pH 4.5-6) 7.39 16.89 -31.29 1 6 1 74 497.615 8

Activity (Go SEA)

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