UCSF

ZINC43058872

Substance Information

In ZINC since Heavy atoms Benign functionality
May 7th, 2010 21 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) 1.94 3.05 -17.32 2 5 0 76 288.299 5
Hi High (pH 8-9.5) 1.94 3.97 -48.89 1 5 -1 79 287.291 5

Activity (Go SEA)

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