UCSF

ZINC36721047

Substance Information

In ZINC since Heavy atoms Benign functionality
November 12th, 2009 14 No

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) 1.59 6.5 -49.79 2 4 1 62 195.242 4
Hi High (pH 8-9.5) 1.59 5.37 -6.94 1 4 0 58 194.234 4

Activity (Go SEA)

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