UCSF

ZINC00487928

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 20 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) 0.12 -1.52 -11.36 2 6 0 87 277.276 3
Mid Mid (pH 6-8) -0.47 -1.8 -14.41 1 6 0 83 277.276 3
Mid Mid (pH 6-8) 0.12 -1.64 -23.98 2 6 0 87 277.276 2

Activity (Go SEA)

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