UCSF

ZINC45700025

Substance Information

In ZINC since Heavy atoms Benign functionality
August 3rd, 2010 20 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) 1.43 2.9 -40.38 3 5 1 65 281.376 8
Hi High (pH 8-9.5) 1.43 0.43 -11.62 2 5 0 64 280.368 8
Hi High (pH 8-9.5) 1.43 3.83 -63.76 2 5 0 68 280.368 8

Activity (Go SEA)

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