UCSF

ZINC44197318

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 14 Yes

Download: MOL2 SDF SMILES Flexibase

Annotations

Vendors

    None

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) -0.54 1.84 -38.14 4 4 0 88 260.087 3
Hi High (pH 8-9.5) -0.54 2.61 -63.71 3 4 -1 91 259.079 3

Activity (Go SEA)

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