UCSF

ZINC19376023

Substance Information

In ZINC since Heavy atoms Benign functionality
October 31st, 2008 27 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) 3.34 11.67 -46.5 2 4 1 41 366.46 7
Hi High (pH 8-9.5) 3.34 9.37 -12.8 1 4 0 39 365.452 7

Activity (Go SEA)

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