UCSF

ZINC57531389

Substance Information

In ZINC since Heavy atoms Benign functionality
January 22nd, 2011 28 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) 2.83 1.86 -17.67 4 6 0 91 432.445 5
Mid Mid (pH 6-8) 2.83 2.38 -41.73 3 6 -1 94 431.437 5

Activity (Go SEA)

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