UCSF

ZINC20873281

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 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) 4.04 9.06 -44.44 3 5 1 64 436.37 9
Hi High (pH 8-9.5) 4.04 7.64 -12.57 2 5 0 60 435.362 9

Activity (Go SEA)

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