UCSF

ZINC37042437

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 21 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) 2.78 7.22 -85.48 4 4 2 50 293.455 3
Hi High (pH 8-9.5) 2.78 6.07 -37.62 3 4 1 46 292.447 3

Activity (Go SEA)

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