UCSF

ZINC42879736

Substance Information

In ZINC since Heavy atoms Benign functionality
May 5th, 2010 16 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) 1.00 -1.37 -42.79 4 5 1 76 226.252 4
Hi High (pH 8-9.5) 1.00 -0.71 -36.66 3 5 0 78 225.244 4

Activity (Go SEA)

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