UCSF

ZINC36884178

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 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) 1.25 6.2 -45.58 1 5 -1 81 282.703 5
Hi High (pH 8-9.5) 1.25 6.99 -121.05 0 5 -2 83 281.695 5

Activity (Go SEA)

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