UCSF

ZINC48947693

Substance Information

In ZINC since Heavy atoms Benign functionality
September 21st, 2010 20 No

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) 1.85 -0.2 -11.11 3 7 0 97 297.698 4
Hi High (pH 8-9.5) 2.04 -2.86 -40.77 2 7 -1 103 296.69 4

Activity (Go SEA)

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