UCSF

ZINC49486962

Substance Information

In ZINC since Heavy atoms Benign functionality
September 30th, 2010 20 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) 2.77 4.69 -13.37 2 5 0 71 374.647 4
Hi High (pH 8-9.5) 2.59 3.55 -40.4 1 5 -1 77 373.639 4

Activity (Go SEA)

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