UCSF

ZINC25449833

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 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) 4.75 11.24 -21.76 1 4 0 55 357.438 3
Hi High (pH 8-9.5) 4.82 10.32 -55.88 0 4 -1 61 356.43 3

Activity (Go SEA)

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