UCSF

ZINC25462732

Substance Information

In ZINC since Heavy atoms Benign functionality
January 29th, 2009 31 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) 4.74 7.6 -11.44 2 7 0 86 438.963 2
Mid Mid (pH 6-8) 4.74 8.04 -41.49 3 7 1 87 439.971 2

Activity (Go SEA)

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