UCSF

ZINC09008334

Substance Information

In ZINC since Heavy atoms Benign functionality
August 4th, 2007 31 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) 5.63 11.91 -54.76 0 5 -1 73 465.963 4
Mid Mid (pH 6-8) 6.08 11.82 -18.66 1 5 0 71 466.971 3

Activity (Go SEA)

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