UCSF

ZINC31917152

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 21 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) -0.44 2.47 -63.15 4 6 1 86 292.359 5
Hi High (pH 8-9.5) -0.44 2.14 -14.52 3 6 0 85 291.351 5

Activity (Go SEA)

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