UCSF

ZINC19281197

Substance Information

In ZINC since Heavy atoms Benign functionality
October 29th, 2008 14 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) 1.57 5.24 -44.64 2 3 1 34 266.203 6
Hi High (pH 8-9.5) 1.57 2.72 -8.01 1 3 0 32 265.195 6

Activity (Go SEA)

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