UCSF

ZINC35721361

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 17 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) 2.62 6.87 -55.77 1 4 -1 69 242.339 8
Lo Low (pH 4.5-6) 2.62 5.06 -12.74 2 4 0 66 243.347 8

Activity (Go SEA)

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