UCSF

ZINC34949589

Substance Information

In ZINC since Heavy atoms Benign functionality
October 1st, 2009 32 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) 1.95 3.5 -13.95 2 8 0 89 441.528 10
Mid Mid (pH 6-8) 1.95 5.77 -52.73 3 8 1 90 442.536 10

Activity (Go SEA)

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