UCSF

ZINC37126370

Substance Information

In ZINC since Heavy atoms Benign functionality
November 21st, 2009 17 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) 0.31 4.82 -44.17 2 5 1 55 239.343 6
Hi High (pH 8-9.5) 0.31 3.68 -12.36 1 5 0 50 238.335 6

Activity (Go SEA)

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