UCSF

ZINC40054703

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 37 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) 4.56 10.2 -63.47 1 7 -1 99 500.571 12
Lo Low (pH 4.5-6) 4.56 9.43 -17.17 2 7 0 96 501.579 12

Activity (Go SEA)

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