UCSF

ZINC04809026

Substance Information

In ZINC since Heavy atoms Benign functionality
January 5th, 2006 24 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) 3.50 -2.99 -60.92 2 5 -1 81 327.404 4
Mid Mid (pH 6-8) 0.66 4.94 -15.06 1 6 0 68 318.373 3

Activity (Go SEA)

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