UCSF

ZINC60700854

Substance Information

In ZINC since Heavy atoms Benign functionality
March 30th, 2011 17 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) 2.51 5.36 -37.77 2 3 1 39 235.351 4
Hi High (pH 8-9.5) 2.51 4.18 -4.99 1 3 0 34 234.343 4

Activity (Go SEA)

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