UCSF

ZINC21812002

Substance Information

In ZINC since Heavy atoms Benign functionality
December 9th, 2008 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) 0.63 7.31 -45.14 1 4 0 68 218.256 5
Hi High (pH 8-9.5) 0.63 5.32 -49.62 0 4 -1 67 217.248 5

Activity (Go SEA)

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