UCSF

ZINC38810798

Substance Information

In ZINC since Heavy atoms Benign functionality
January 30th, 2010 32 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

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) 5.81 7.34 -24.04 4 7 0 117 444.878 5
Hi High (pH 8-9.5) 5.81 8.35 -71.7 3 7 -1 120 443.87 5

Activity (Go SEA)

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