UCSF

ZINC35268041

Substance Information

In ZINC since Heavy atoms Benign functionality
October 5th, 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) 6.01 10.03 -15.77 3 7 0 96 451.596 8
Hi High (pH 8-9.5) 6.19 9.14 -46.8 2 7 -1 102 450.588 8

Activity (Go SEA)

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