UCSF

ZINC35871038

Substance Information

In ZINC since Heavy atoms Benign functionality
October 14th, 2009 30 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) 2.81 10.64 -55.71 1 8 1 83 415.514 3
Mid Mid (pH 6-8) 2.81 8.42 -13.76 0 8 0 82 414.506 3

Activity (Go SEA)

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