UCSF

ZINC13544999

Substance Information

In ZINC since Heavy atoms Benign functionality
June 21st, 2008 23 No

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) 2.94 4.49 -18.36 4 5 0 86 349.481 5
Ref Reference (pH 7) 2.27 4.47 -18.5 4 5 0 84 349.481 6

Activity (Go SEA)

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