UCSF

ZINC07787413

Substance Information

In ZINC since Heavy atoms Benign functionality
June 20th, 2006 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) 2.46 8.87 -40.16 2 5 1 54 318.441 5
Hi High (pH 8-9.5) 2.46 6.69 -15.09 1 5 0 53 317.433 5

Activity (Go SEA)

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