UCSF

ZINC26358541

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2009 25 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) 3.79 7.94 -17.79 1 5 0 60 354.431 5
Hi High (pH 8-9.5) 3.86 7.03 -52.09 0 5 -1 67 353.423 5

Activity (Go SEA)

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