UCSF

ZINC40052971

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 33 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) 1.70 5.69 -63.31 1 9 -1 125 452.439 8
Lo Low (pH 4.5-6) 1.70 4.95 -20.68 2 9 0 123 453.447 8

Activity (Go SEA)

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