UCSF

ZINC33936961

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2009 35 Yes

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) 0.01 6.77 -43.15 2 11 1 118 483.549 8
Hi High (pH 8-9.5) 0.01 4.45 -14.22 1 11 0 117 482.541 8

Activity (Go SEA)

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