UCSF

ZINC20265104

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 21 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) 2.58 6.2 -88.19 5 4 2 61 291.439 4
Hi High (pH 8-9.5) 2.58 4.82 -48.6 4 4 1 60 290.431 4

Activity (Go SEA)

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