UCSF

ZINC40052961

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 36 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) 2.61 6.67 -62.7 1 9 -1 118 496.536 11
Lo Low (pH 4.5-6) 2.61 5.92 -19.07 2 9 0 115 497.544 11

Activity (Go SEA)

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