UCSF

ZINC58393982

Substance Information

In ZINC since Heavy atoms Benign functionality
February 6th, 2011 24 Yes

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) 1.56 4.83 -48.02 3 6 1 77 332.424 4
Hi High (pH 8-9.5) 1.56 2.76 -20.25 2 6 0 76 331.416 4

Activity (Go SEA)

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