UCSF

ZINC28292912

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2009 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) 3.46 7.89 -43.99 2 5 1 46 360.522 6
Hi High (pH 8-9.5) 3.46 5.57 -10.27 1 5 0 45 359.514 6

Activity (Go SEA)

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