UCSF

ZINC34828506

Substance Information

In ZINC since Heavy atoms Benign functionality
September 29th, 2009 16 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) 3.66 9.46 -5.41 0 1 0 13 207.276 3
Lo Low (pH 4.5-6) 3.66 9.6 -29.5 1 1 1 14 208.284 3

Activity (Go SEA)

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