UCSF

ZINC24002109

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2009 30 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) 2.75 8.23 -33.04 3 7 1 79 408.526 6
Hi High (pH 8-9.5) 2.75 6.73 -15.83 2 7 0 78 407.518 6

Activity (Go SEA)

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