UCSF

ZINC31255091

Substance Information

In ZINC since Heavy atoms Benign functionality
April 8th, 2009 20 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) 3.61 4.25 -14.82 2 5 0 75 418.066 2
Mid Mid (pH 6-8) 4.07 2.49 -52.65 1 5 -1 78 417.058 2

Activity (Go SEA)

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