UCSF

ZINC37003924

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 18 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) 0.45 2.05 -53.38 5 5 1 86 250.322 4
Hi High (pH 8-9.5) 0.45 1.71 -13.29 4 5 0 84 249.314 4

Activity (Go SEA)

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