UCSF

ZINC36366044

Substance Information

In ZINC since Heavy atoms Benign functionality
October 27th, 2009 26 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) 3.60 7.16 -13.61 1 6 0 75 371.462 4
Ref Reference (pH 7) 3.41 9.67 -12.22 1 6 0 72 371.462 4

Activity (Go SEA)

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