UCSF

ZINC20217757

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2008 17 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) -0.73 2.8 -108.4 4 5 2 53 239.367 3
Hi High (pH 8-9.5) -0.73 0.25 -52.31 3 5 1 52 238.359 3

Activity (Go SEA)

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