UCSF

ZINC40036705

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) 7.26 19.01 -11.94 1 5 0 59 480.656 6
Lo Low (pH 4.5-6) 7.26 19.45 -28.14 2 5 1 61 481.664 6

Activity (Go SEA)

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