UCSF

ZINC59174992

Substance Information

In ZINC since Heavy atoms Benign functionality
February 26th, 2011 19 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) 3.63 6.32 -34.34 3 3 1 37 277.775 4
Hi High (pH 8-9.5) 3.63 6.1 -4.73 2 3 0 35 276.767 4

Activity (Go SEA)

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