UCSF

ZINC37032157

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 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) 5.03 8.34 -33.64 3 2 1 37 341.313 5
Hi High (pH 8-9.5) 5.03 9.06 -32.3 2 2 0 40 340.305 5

Activity (Go SEA)

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