UCSF

ZINC26171547

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 24 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) 4.10 8.74 -40.03 3 4 1 54 331.48 3
Hi High (pH 8-9.5) 4.10 6.54 -8.8 2 4 0 53 330.472 3

Activity (Go SEA)

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