UCSF

ZINC50523614

Substance Information

In ZINC since Heavy atoms Benign functionality
October 20th, 2010 17 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) 0.24 1.27 -126.62 6 3 2 64 250.264 6
Hi High (pH 8-9.5) 0.24 0.9 -44.39 5 3 1 63 249.256 6

Activity (Go SEA)

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