UCSF

ZINC47262709

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2010 21 No

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) 1.17 5 -43.11 3 6 1 86 289.359 6
Hi High (pH 8-9.5) 1.17 2.78 -12.38 2 6 0 85 288.351 6

Activity (Go SEA)

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