UCSF

ZINC40542976

Substance Information

In ZINC since Heavy atoms Benign functionality
April 9th, 2010 18 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) 1.67 0.28 -19.9 1 5 0 80 332.23 5
Hi High (pH 8-9.5) 1.67 0 -55.05 0 5 -1 82 331.222 5

Activity (Go SEA)

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