UCSF

ZINC39976759

Substance Information

In ZINC since Heavy atoms Benign functionality
March 20th, 2010 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) -0.75 -5.84 -59.55 4 11 -1 155 365.37 3
Lo Low (pH 4.5-6) -0.75 -5.85 -21.4 5 11 0 158 366.378 3

Activity (Go SEA)

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