UCSF

ZINC12560619

Substance Information

In ZINC since Heavy atoms Benign functionality
May 18th, 2008 25 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) 3.11 6.35 -13.07 1 6 0 77 352.419 3
Hi High (pH 8-9.5) 3.11 6.44 -43.83 0 6 -1 79 351.411 3

Activity (Go SEA)

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