UCSF

ZINC36005187

Substance Information

In ZINC since Heavy atoms Benign functionality
October 19th, 2009 39 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) 5.43 12.9 -12.32 1 8 0 82 532.685 8
Mid Mid (pH 6-8) 5.43 14.78 -47.57 2 8 1 83 533.693 8

Activity (Go SEA)

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