UCSF

ZINC39327424

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 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) 3.95 6.85 -11.32 3 5 0 81 380.86 3
Lo Low (pH 4.5-6) 3.95 7.17 -34.7 4 5 1 82 381.868 3

Activity (Go SEA)

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