UCSF

ZINC35604861

Substance Information

In ZINC since Heavy atoms Benign functionality
October 9th, 2009 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) 1.14 2.65 -42.63 3 6 1 92 241.267 6
Hi High (pH 8-9.5) 1.14 1.37 -8.18 2 6 0 87 240.259 6

Activity (Go SEA)

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