UCSF

ZINC20308959

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2008 19 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) 1.55 7.19 -89.47 4 4 2 50 271.449 10
Hi High (pH 8-9.5) 1.55 6.22 -30.96 3 4 1 46 270.441 10

Activity (Go SEA)

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