UCSF

ZINC79620289

Substance Information

In ZINC since Heavy atoms Benign functionality
October 22nd, 2012 19 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) 3.75 8.05 -40.65 2 2 1 29 275.441 3
Hi High (pH 8-9.5) 3.75 6.88 -6.33 1 2 0 25 274.433 3

Activity (Go SEA)

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