UCSF

ZINC26963530

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2009 34 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) 6.36 15.22 -38.37 1 4 1 32 456.606 8
Hi High (pH 8-9.5) 6.36 12.67 -8.06 0 4 0 31 455.598 8

Activity (Go SEA)

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