UCSF

ZINC59098472

Substance Information

In ZINC since Heavy atoms Benign functionality
February 24th, 2011 24 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) 3.28 8.6 -45.21 2 4 1 44 328.432 6
Hi High (pH 8-9.5) 3.28 7.23 -9.03 1 4 0 40 327.424 6

Activity (Go SEA)

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