UCSF

ZINC00359249

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 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) 1.44 3.29 -19.24 3 6 0 95 295.298 3
Ref Reference (pH 7) 1.44 3.41 -12.58 3 6 0 95 295.298 3
Hi High (pH 8-9.5) 1.89 1.39 -57.62 2 6 -1 98 294.29 3
Hi High (pH 8-9.5) 1.89 1.67 -44.85 2 6 -1 98 294.29 3

Activity (Go SEA)

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