UCSF

ZINC16504935

Substance Information

In ZINC since Heavy atoms Benign functionality
August 29th, 2008 28 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) 4.82 8.53 -13.61 2 5 0 75 394.496 5
Hi High (pH 8-9.5) 4.82 8.6 -44.23 1 5 -1 77 393.488 5

Activity (Go SEA)

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