UCSF

ZINC39767470

Substance Information

In ZINC since Heavy atoms Benign functionality
March 7th, 2010 30 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) 3.85 10.08 -16.88 1 7 0 81 447.63 8
Lo Low (pH 4.5-6) 3.85 11.22 -37.23 2 7 1 83 448.638 8

Activity (Go SEA)

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