UCSF

ZINC40116292

Substance Information

In ZINC since Heavy atoms Benign functionality
March 24th, 2010 31 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) 5.04 9.08 -56.75 1 5 -1 78 453.301 6
Lo Low (pH 4.5-6) 5.04 8.32 -12.46 2 5 0 76 454.309 6

Activity (Go SEA)

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