UCSF

ZINC19637027

Substance Information

In ZINC since Heavy atoms Benign functionality
November 5th, 2008 30 Yes

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) 3.25 8.74 -47.56 1 6 1 46 428.578 4
Mid Mid (pH 6-8) 3.25 8.82 -50.02 1 6 1 46 428.578 4
Mid Mid (pH 6-8) 3.25 6.5 -13.3 0 6 0 45 427.57 4

Activity (Go SEA)

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