UCSF

ZINC27529520

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 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) 4.39 7.82 -94.8 6 6 2 92 507.458 14
Hi High (pH 8-9.5) 4.39 6.32 -51.46 5 6 1 88 506.45 14

Activity (Go SEA)

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