UCSF

ZINC42817683

Substance Information

In ZINC since Heavy atoms Benign functionality
May 4th, 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) 1.61 1.56 -40.56 4 4 1 66 238.307 4
Hi High (pH 8-9.5) 1.61 2.47 -36.89 3 4 0 69 237.299 4

Activity (Go SEA)

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