UCSF

ZINC42437039

Substance Information

In ZINC since Heavy atoms Benign functionality
April 28th, 2010 17 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) 1.67 4.55 -48.75 4 4 1 63 240.302 5
Mid Mid (pH 6-8) 1.67 2.45 -6.31 3 4 0 62 239.294 5

Activity (Go SEA)

Rings

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