UCSF

ZINC37003639

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 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) 4.33 8.67 -23.87 2 3 1 29 236.383 7
Hi High (pH 8-9.5) 4.33 7.66 -4.22 1 3 0 28 235.375 7

Activity (Go SEA)

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