UCSF

ZINC12604966

Substance Information

In ZINC since Heavy atoms Benign functionality
May 19th, 2008 34 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) 4.39 9.04 -53.34 3 7 1 89 482.626 9
Hi High (pH 8-9.5) 4.39 9.13 -65.36 2 7 0 91 481.618 9

Activity (Go SEA)

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