UCSF

ZINC05820566

Substance Information

In ZINC since Heavy atoms Benign functionality
February 15th, 2006 27 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) 0.88 3.37 -42.88 7 7 0 149 389.533 17
Hi High (pH 8-9.5) 0.88 2.8 -47.03 6 7 -1 147 388.525 17

Activity (Go SEA)

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