UCSF

ZINC04893392

Substance Information

In ZINC since Heavy atoms Benign functionality
January 10th, 2006 27 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) 3.31 4.04 -15.41 3 6 0 100 364.353 3
Hi High (pH 8-9.5) 3.31 3.99 -44.08 2 6 -1 103 363.345 3

Activity (Go SEA)

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