UCSF

ZINC35385563

Substance Information

In ZINC since Heavy atoms Benign functionality
October 7th, 2009 17 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) 0.54 4.93 -42.92 3 5 0 86 277.107 5
Hi High (pH 8-9.5) 0.54 3.6 -49.85 2 5 -1 81 276.099 5

Activity (Go SEA)

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