UCSF

ZINC63088757

Substance Information

In ZINC since Heavy atoms Benign functionality
May 24th, 2011 17 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) -0.22 2.08 -40.85 4 5 1 69 262.399 8
Hi High (pH 8-9.5) -0.22 1.09 -13.22 3 5 0 68 261.391 8

Activity (Go SEA)

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