UCSF

ZINC40109375

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 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) 3.71 9.17 -69.65 1 8 -1 116 504.49 10
Lo Low (pH 4.5-6) 3.71 8.41 -24.64 2 8 0 113 505.498 10

Activity (Go SEA)

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