UCSF

ZINC09411234

Substance Information

In ZINC since Heavy atoms Benign functionality
August 25th, 2007 35 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) 5.58 12.33 -64.73 0 6 -1 83 487.532 5
Mid Mid (pH 6-8) 6.03 11.85 -22.37 1 6 0 80 488.54 4

Activity (Go SEA)

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