UCSF

ZINC21720446

Substance Information

In ZINC since Heavy atoms Benign functionality
December 8th, 2008 19 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) 1.34 7.67 -44.42 1 4 1 43 258.345 3
Mid Mid (pH 6-8) 1.34 6.93 -9.02 0 4 0 42 257.337 3

Activity (Go SEA)

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