UCSF

ZINC00539347

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2004 22 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) 3.32 7.01 -10.34 1 6 0 96 297.266 3
Hi High (pH 8-9.5) 3.32 7.78 -47.65 0 6 -1 99 296.258 3

Activity (Go SEA)

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