UCSF

ZINC27719092

Substance Information

In ZINC since Heavy atoms Benign functionality
February 19th, 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) 2.89 6.63 -5.9 0 2 0 8 234.73 0
Mid Mid (pH 6-8) 2.89 9.04 -40.26 1 2 1 9 235.738 0

Activity (Go SEA)

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