UCSF

ZINC37984636

Substance Information

In ZINC since Heavy atoms Benign functionality
December 20th, 2009 19 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) 3.05 5.83 -44.88 3 3 1 46 329.258 8
Hi High (pH 8-9.5) 3.05 4.67 -5.53 2 3 0 41 328.25 8

Activity (Go SEA)

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