UCSF

ZINC39246203

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 2010 23 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) 4.85 7.04 -14.6 2 4 0 62 324.767 3
Hi High (pH 8-9.5) 4.85 7.86 -46.89 1 4 -1 65 323.759 3

Activity (Go SEA)

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