UCSF

ZINC40125817

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 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) 4.66 10.12 -60.62 1 7 -1 97 486.544 11
Lo Low (pH 4.5-6) 4.66 9.36 -18.93 2 7 0 94 487.552 11

Activity (Go SEA)

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