UCSF

ZINC09328170

Substance Information

In ZINC since Heavy atoms Benign functionality
August 18th, 2007 24 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) 4.13 8.66 -18.46 1 5 0 64 339.42 6
Hi High (pH 8-9.5) 4.32 7.59 -44.92 0 5 -1 70 338.412 6

Activity (Go SEA)

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