UCSF

ZINC25516757

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 24 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) 3.44 6.61 -19.14 2 6 0 80 338.392 4
Hi High (pH 8-9.5) 3.50 5.71 -47.25 1 6 -1 86 337.384 4

Activity (Go SEA)

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