UCSF

ZINC09110860

Substance Information

In ZINC since Heavy atoms Benign functionality
August 8th, 2007 33 No

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) 4.57 13.52 -54.38 0 7 -1 106 441.463 7
Mid Mid (pH 6-8) 5.01 12.98 -11.8 1 7 0 103 442.471 6

Activity (Go SEA)

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