UCSF

ZINC14289506

Substance Information

In ZINC since Heavy atoms Benign functionality
July 6th, 2008 33 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) 4.92 9.95 -23.08 2 6 0 76 484.383 9
Mid Mid (pH 6-8) 4.92 10.24 -50.07 3 6 1 78 485.391 9

Activity (Go SEA)

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