UCSF

ZINC31945039

Substance Information

In ZINC since Heavy atoms Benign functionality
April 18th, 2009 22 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) 2.10 5.08 -55.66 0 5 -1 65 317.39 5
Lo Low (pH 4.5-6) 2.10 7.43 -81.82 1 5 0 67 318.398 5

Activity (Go SEA)

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