UCSF

ZINC38277636

Substance Information

In ZINC since Heavy atoms Benign functionality
January 13th, 2010 27 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) 2.23 7.45 -62.81 0 6 -1 83 366.393 5
Lo Low (pH 4.5-6) 2.23 6.7 -13.11 1 6 0 80 367.401 5

Activity (Go SEA)

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