UCSF

ZINC26462976

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2009 16 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) 2.24 4.42 -33.06 3 4 1 66 217.248 2
Hi High (pH 8-9.5) 2.24 4.05 -9.95 2 4 0 65 216.24 2

Activity (Go SEA)

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