UCSF

ZINC52411008

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 22 No

Download: MOL2 SDF SMILES Flexibase

Annotations

None

Vendors

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) 3.58 7.81 -9.61 2 5 0 60 340.832 5
Hi High (pH 8-9.5) 2.82 6.75 -35.87 1 5 -1 66 339.824 4

Activity (Go SEA)

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