UCSF

ZINC04906871

Substance Information

In ZINC since Heavy atoms Benign functionality
January 11th, 2006 20 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) 5.20 11.69 -34.12 1 2 1 14 278.46 9
Hi High (pH 8-9.5) 5.20 9.18 -3.15 0 2 0 12 277.452 9

Activity (Go SEA)

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