UCSF

ZINC26009283

Substance Information

In ZINC since Heavy atoms Benign functionality
February 3rd, 2009 31 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) 5.31 9.08 -51.33 3 5 1 71 434.537 7
Hi High (pH 8-9.5) 5.31 6.47 -17.54 2 5 0 70 433.529 7

Activity (Go SEA)

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