UCSF

ZINC43202264

Substance Information

In ZINC since Heavy atoms Benign functionality
May 9th, 2010 22 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) 3.34 3.26 -48.06 5 5 1 86 309.43 10
Hi High (pH 8-9.5) 3.34 2.91 -6.56 4 5 0 85 308.422 10

Activity (Go SEA)

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