UCSF

ZINC36146277

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 23 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) 4.07 8.69 -42.27 2 4 1 46 337.871 9
Hi High (pH 8-9.5) 4.07 6.41 -6.42 1 4 0 45 336.863 9

Activity (Go SEA)

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