UCSF

ZINC25453896

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 25 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) 5.11 8.43 -11.42 1 5 0 72 361.463 7
Hi High (pH 8-9.5) 5.11 8.48 -38.5 0 5 -1 75 360.455 7

Activity (Go SEA)

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