UCSF

ZINC35609533

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 21 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) 0.43 -1.06 -11.9 3 6 0 87 313.423 5
Lo Low (pH 4.5-6) 0.43 1.23 -49.54 4 6 1 88 314.431 5

Activity (Go SEA)

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