UCSF

ZINC20929885

Substance Information

In ZINC since Heavy atoms Benign functionality
November 30th, 2008 20 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) 3.16 4.87 -42.02 3 4 1 55 412.142 10
Hi High (pH 8-9.5) 3.16 3.37 -7.21 2 4 0 51 411.134 10

Activity (Go SEA)

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