UCSF

ZINC40055940

Substance Information

In ZINC since Heavy atoms Benign functionality
March 22nd, 2010 37 Yes

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) 6.85 15.83 -10.32 0 6 0 73 508.961 4
Lo Low (pH 4.5-6) 6.85 16.15 -33.71 1 6 1 74 509.969 4

Activity (Go SEA)

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