UCSF

ZINC37843179

Substance Information

In ZINC since Heavy atoms Benign functionality
December 2nd, 2009 18 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) 3.45 4.22 -36.94 0 4 -1 57 376.079 6
Mid Mid (pH 6-8) 3.45 4.19 -9.07 1 4 0 55 377.087 6

Activity (Go SEA)

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