UCSF

ZINC26964256

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 26 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) 4.55 12.31 -12.66 1 4 0 46 345.377 3
Lo Low (pH 4.5-6) 4.55 12.73 -31.36 2 4 1 48 346.385 3

Activity (Go SEA)

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