UCSF

ZINC04736833

Substance Information

In ZINC since Heavy atoms Benign functionality
January 2nd, 2006 19 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) 0.85 3.02 -18.65 2 5 0 67 259.309 4
Mid Mid (pH 6-8) 1.56 -3.43 -40.03 2 5 1 66 260.317 4

Activity (Go SEA)

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