UCSF

ZINC44690550

Substance Information

In ZINC since Heavy atoms Benign functionality
July 20th, 2010 20 No

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) 2.84 8.68 -48.77 2 5 1 72 281.376 9
Hi High (pH 8-9.5) 2.84 7.83 -5.76 1 5 0 67 280.368 9

Activity (Go SEA)

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