UCSF

ZINC52396801

Substance Information

In ZINC since Heavy atoms Benign functionality
November 9th, 2010 26 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) 3.93 11.1 -11.8 0 4 0 33 352.478 6
Lo Low (pH 4.5-6) 3.93 11.73 -38.9 1 4 1 34 353.486 6

Activity (Go SEA)

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