UCSF

ZINC37850186

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 16 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) 0.58 1.88 -38.58 3 4 1 55 232.344 8
Hi High (pH 8-9.5) 0.58 0.44 -6.24 2 4 0 51 231.336 8

Activity (Go SEA)

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