UCSF

ZINC12081121

Substance Information

In ZINC since Heavy atoms Benign functionality
March 25th, 2008 21 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) 3.11 5.78 -7.92 1 5 0 59 351.617 4
Hi High (pH 8-9.5) 3.30 4.25 -31.94 0 5 -1 65 350.609 4

Activity (Go SEA)

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