UCSF

ZINC39855912

Substance Information

In ZINC since Heavy atoms Benign functionality
March 13th, 2010 24 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) 1.13 3.97 -35.98 6 8 1 127 336.416 6
Hi High (pH 8-9.5) 1.13 3.94 -16.06 5 8 0 126 335.408 6

Activity (Go SEA)

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