UCSF

ZINC09137369

Substance Information

In ZINC since Heavy atoms Benign functionality
August 9th, 2007 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) 4.51 9.6 -18.19 1 5 0 64 353.447 7
Hi High (pH 8-9.5) 4.69 8.53 -44.64 0 5 -1 70 352.439 7

Activity (Go SEA)

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