UCSF

ZINC20874299

Substance Information

In ZINC since Heavy atoms Benign functionality
November 29th, 2008 28 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) 5.52 13.8 -49.48 2 3 1 35 376.52 9
Hi High (pH 8-9.5) 5.52 12.52 -7.24 1 3 0 30 375.512 9

Activity (Go SEA)

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