UCSF

ZINC44510906

Substance Information

In ZINC since Heavy atoms Benign functionality
July 15th, 2010 12 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) -0.77 1.7 -119.92 5 3 2 53 174.288 5
Mid Mid (pH 6-8) -0.77 1.28 -32.74 4 3 1 52 173.28 5
Mid Mid (pH 6-8) -0.77 0.32 -40.28 4 3 1 49 173.28 5

Activity (Go SEA)

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