UCSF

ZINC16361876

Substance Information

In ZINC since Heavy atoms Benign functionality
August 27th, 2008 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) 2.64 6.84 -16.07 1 5 0 70 354.431 6
Hi High (pH 8-9.5) 3.10 5.71 -44.36 0 5 -1 73 353.423 6

Activity (Go SEA)

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