UCSF

ZINC50031787

Substance Information

In ZINC since Heavy atoms Benign functionality
October 15th, 2010 23 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) 1.13 7.12 -44.72 2 7 1 80 330.449 12
Hi High (pH 8-9.5) 1.13 5.28 -13.56 1 7 0 79 329.441 12

Activity (Go SEA)

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