UCSF

ZINC67754415

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2011 23 Yes

Download: MOL2 SDF SMILES Flexibase

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) 0.50 2.51 -89.05 3 7 0 116 373.481 5
Hi High (pH 8-9.5) 0.50 2.26 -145.7 2 7 -1 118 372.473 5
Hi High (pH 8-9.5) 0.50 0.91 -136.07 1 7 -2 113 371.465 5
Hi High (pH 8-9.5) 0.50 1.16 -64.25 2 7 -1 111 372.473 5

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.