UCSF

ZINC36206486

Substance Information

In ZINC since Heavy atoms Benign functionality
October 24th, 2009 37 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) 3.89 7.27 -14.73 2 7 0 82 518.683 9
Mid Mid (pH 6-8) 3.89 9.54 -53.35 3 7 1 83 519.691 9

Activity (Go SEA)

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