UCSF

ZINC38724478

Substance Information

In ZINC since Heavy atoms Benign functionality
January 28th, 2010 27 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) 1.37 6.95 -13.87 2 6 0 78 362.433 5
Lo Low (pH 4.5-6) 1.37 7.35 -42.6 3 6 1 79 363.441 5

Activity (Go SEA)

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