UCSF

ZINC28701720

Substance Information

In ZINC since Heavy atoms Benign functionality
March 6th, 2009 43 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) -0.45 5.36 -166.02 16 13 3 242 597.789 19
Hi High (pH 8-9.5) -0.45 5.03 -94.52 15 13 2 241 596.781 19

Activity (Go SEA)

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