UCSF

ZINC39846838

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 24 No

Download: MOL2 SDF SMILES Flexibase

Annotations

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) 4.72 10.86 -15.96 1 3 0 42 360.841 5
Hi High (pH 8-9.5) 4.91 9.64 -44.16 0 3 -1 48 359.833 5

Activity (Go SEA)

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