UCSF

ZINC20932303

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 24 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) 5.29 11.62 -50.82 2 3 1 35 393.345 9
Hi High (pH 8-9.5) 5.29 10.36 -6.68 1 3 0 30 392.337 9

Activity (Go SEA)

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