UCSF

ZINC33450966

Substance Information

In ZINC since Heavy atoms Benign functionality
July 10th, 2009 35 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) 0.61 6.75 -68.98 1 10 -1 123 516.625 8
Mid Mid (pH 6-8) 0.61 9.15 -93.63 2 10 0 124 517.633 8

Activity (Go SEA)

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