UCSF

ZINC25450120

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 28 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) 5.08 10.04 -16.58 2 6 0 80 396.516 7
Hi High (pH 8-9.5) 5.08 9.89 -45.34 1 6 -1 78 395.508 7

Activity (Go SEA)

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