UCSF

ZINC08701506

Substance Information

In ZINC since Heavy atoms Benign functionality
July 24th, 2007 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) 1.73 4.45 -9.89 1 3 0 42 228.342 2
Hi High (pH 8-9.5) 1.73 4.99 -47.68 1 3 -1 42 227.334 2

Activity (Go SEA)

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