UCSF

ZINC12412483

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2008 29 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) 4.47 11.05 -42.46 3 6 1 72 400.543 6
Hi High (pH 8-9.5) 4.47 8.71 -8.02 2 6 0 71 399.535 6

Activity (Go SEA)

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