UCSF

ZINC25454196

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 29 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) 1.87 4.66 -52.54 3 8 1 100 423.559 5
Hi High (pH 8-9.5) 1.87 2.31 -16.54 2 8 0 99 422.551 5

Activity (Go SEA)

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