UCSF

ZINC36881443

Substance Information

In ZINC since Heavy atoms Benign functionality
November 16th, 2009 17 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) 2.39 3.91 -41.39 0 3 -1 48 286.682 5
Mid Mid (pH 6-8) 2.39 3.72 -10.93 1 3 0 46 287.69 5

Activity (Go SEA)

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