UCSF

ZINC36457546

Substance Information

In ZINC since Heavy atoms Benign functionality
November 4th, 2009 18 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) 0.05 7.11 -162.4 4 5 3 46 261.434 10
Hi High (pH 8-9.5) 0.05 5.66 -91.21 3 5 2 41 260.426 10

Activity (Go SEA)

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