UCSF

ZINC37005178

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) 0.26 3.55 -44.12 5 4 1 77 285.367 5
Hi High (pH 8-9.5) 0.26 3.23 -9.21 4 4 0 75 284.359 5

Activity (Go SEA)

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