UCSF

ZINC35018969

Substance Information

In ZINC since Heavy atoms Benign functionality
October 2nd, 2009 18 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) 2.69 8.11 -50.37 2 3 1 54 241.314 4
Hi High (pH 8-9.5) 2.69 6.91 -7.91 1 3 0 49 240.306 4

Activity (Go SEA)

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