UCSF

ZINC25518260

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 30 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) 0.97 4.77 -53.1 4 8 1 108 429.522 6
Hi High (pH 8-9.5) 0.97 2.57 -21.43 3 8 0 107 428.514 6

Activity (Go SEA)

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