UCSF

ZINC43474225

Substance Information

In ZINC since Heavy atoms Benign functionality
May 14th, 2010 20 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) 2.48 2.99 -12.09 3 6 0 98 278.239 4
Hi High (pH 8-9.5) 2.48 3.91 -40.01 2 6 -1 101 277.231 4

Activity (Go SEA)

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