UCSF

ZINC44405054

Substance Information

In ZINC since Heavy atoms Benign functionality
May 25th, 2010 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) 6.80 15.26 -189.36 5 6 3 63 499.849 12
Mid Mid (pH 6-8) 6.80 13.07 -92.04 4 6 2 61 498.841 12
Mid Mid (pH 6-8) 6.80 10.82 -112.02 4 6 2 61 498.841 12

Activity (Go SEA)

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