UCSF

ZINC08821021

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 27 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) 7.03 12.72 -11.19 1 4 0 58 439.334 3
Mid Mid (pH 6-8) 6.54 12.59 -47.76 0 4 -1 57 438.326 4

Activity (Go SEA)

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