UCSF

ZINC37996642

Substance Information

In ZINC since Heavy atoms Benign functionality
December 21st, 2009 19 No

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) 1.59 7.8 -18.12 0 4 0 47 281.739 3
Hi High (pH 8-9.5) 2.33 6.66 -49.51 0 4 -1 53 280.731 2

Activity (Go SEA)

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