UCSF

ZINC37115898

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 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) 3.22 5.61 -38.87 3 3 1 46 241.399 5
Hi High (pH 8-9.5) 3.22 4.66 -6.2 2 3 0 41 240.391 5

Activity (Go SEA)

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