UCSF

ZINC35721271

Substance Information

In ZINC since Heavy atoms Benign functionality
October 11th, 2009 21 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) 4.03 9.57 -55.3 1 4 -1 69 331.219 5
Lo Low (pH 4.5-6) 4.03 7.47 -13.29 2 4 0 66 332.227 5

Activity (Go SEA)

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