UCSF

ZINC48048117

Substance Information

In ZINC since Heavy atoms Benign functionality
September 10th, 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) 2.02 7.06 -36.08 3 5 1 68 371.299 9
Hi High (pH 8-9.5) 2.02 4.98 -9.33 2 5 0 67 370.291 9

Activity (Go SEA)

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