UCSF

ZINC16516696

Substance Information

In ZINC since Heavy atoms Benign functionality
August 30th, 2008 33 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) 4.04 5.66 -18.94 2 8 0 103 470.547 11
Hi High (pH 8-9.5) 4.04 5.76 -52.82 1 8 -1 105 469.539 11

Activity (Go SEA)

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