UCSF

ZINC39447757

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2010 32 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) 3.09 12.6 -43.14 1 6 1 60 435.592 6
Hi High (pH 8-9.5) 3.09 10.44 -11.61 0 6 0 59 434.584 6

Activity (Go SEA)

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