UCSF

ZINC36108835

Substance Information

In ZINC since Heavy atoms Benign functionality
October 23rd, 2009 12 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) -3.48 -8.26 -92.22 1 8 -2 139 191.124 1
Lo Low (pH 4.5-6) -3.93 -6.76 -37.74 2 8 -1 136 192.132 1

Activity (Go SEA)

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

No pre-computed analogs available. Try a structural similarity search.