UCSF

ZINC12541677

Substance Information

In ZINC since Heavy atoms Benign functionality
May 17th, 2008 25 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) 3.48 7.72 -12.64 1 5 0 66 360.479 8
Hi High (pH 8-9.5) 3.48 7.8 -42.84 0 5 -1 69 359.471 8

Activity (Go SEA)

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