UCSF

ZINC35107125

Substance Information

In ZINC since Heavy atoms Benign functionality
October 3rd, 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) 1.43 3.56 -13.32 1 5 0 53 292.379 5
Lo Low (pH 4.5-6) 1.43 5.85 -47.98 2 5 1 54 293.387 5

Activity (Go SEA)

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