UCSF

ZINC35409739

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 18 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) -0.12 3.83 -58.58 2 6 -1 99 252.246 5
Hi High (pH 8-9.5) -0.12 4.83 -130.08 1 6 -2 102 251.238 5

Activity (Go SEA)

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