UCSF

ZINC41735490

Substance Information

In ZINC since Heavy atoms Benign functionality
April 22nd, 2010 16 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) 0.74 5.99 -32.95 2 4 0 66 231.336 10
Hi High (pH 8-9.5) 0.74 4.62 -48.07 1 4 -1 61 230.328 10

Activity (Go SEA)

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