UCSF

ZINC13334942

Substance Information

In ZINC since Heavy atoms Benign functionality
June 17th, 2008 20 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) 3.44 4.55 -8.97 2 4 0 67 270.284 1
Hi High (pH 8-9.5) 3.44 5.54 -52.19 1 4 -1 70 269.276 1

Activity (Go SEA)

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