UCSF

ZINC49272627

Substance Information

In ZINC since Heavy atoms Benign functionality
September 26th, 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) 1.47 2.76 -9.67 3 6 0 87 343.305 6
Hi High (pH 8-9.5) 1.65 1.93 -45.35 2 6 -1 94 342.297 6

Activity (Go SEA)

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