UCSF

ZINC08821049

Substance Information

In ZINC since Heavy atoms Benign functionality
July 29th, 2007 30 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) 7.81 14.11 -12.37 1 4 0 58 475.367 3
Mid Mid (pH 6-8) 7.32 13.99 -51.36 0 4 -1 57 474.359 4

Activity (Go SEA)

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