UCSF

ZINC04528220

Substance Information

In ZINC since Heavy atoms Benign functionality
December 7th, 2005 30 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) 4.77 11.7 -18.45 1 6 0 75 426.586 7
Hi High (pH 8-9.5) 4.96 10.39 -57.02 0 6 -1 82 425.578 7

Activity (Go SEA)

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