UCSF

ZINC25254759

Substance Information

In ZINC since Heavy atoms Benign functionality
January 26th, 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) 3.93 8 -15.99 1 5 0 60 372.421 5
Hi High (pH 8-9.5) 4.00 7.1 -46.25 0 5 -1 67 371.413 5

Activity (Go SEA)

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