UCSF

ZINC00584991

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) 3.37 6.3 -18.57 2 5 0 71 298.342 5
Hi High (pH 8-9.5) 3.37 6.71 -46.63 1 5 -1 74 297.334 5
Hi High (pH 8-9.5) 3.37 7.06 -66.33 1 5 -1 74 297.334 5

Activity (Go SEA)

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