UCSF

ZINC34930105

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 26 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) 4.40 11.88 -11.66 1 4 0 45 365.864 6
Lo Low (pH 4.5-6) 4.40 12.24 -40.37 2 4 1 46 366.872 6

Activity (Go SEA)

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