UCSF

ZINC55166065

Substance Information

In ZINC since Heavy atoms Benign functionality
December 11th, 2010 26 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) 2.23 9.53 -40.01 1 5 1 37 360.522 8
Hi High (pH 8-9.5) 2.23 7.15 -7.38 0 5 0 36 359.514 8

Activity (Go SEA)

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