UCSF

ZINC40920671

Substance Information

In ZINC since Heavy atoms Benign functionality
April 13th, 2010 15 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) 1.69 2.88 -47.77 4 3 1 57 227.715 3
Hi High (pH 8-9.5) 1.69 2.61 -6.27 3 3 0 55 226.707 3

Activity (Go SEA)

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