UCSF

ZINC43253810

Substance Information

In ZINC since Heavy atoms Benign functionality
May 10th, 2010 19 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) 1.02 0.35 -47.97 4 5 1 69 306.839 8
Hi High (pH 8-9.5) 1.02 -0.05 -6.67 3 5 0 68 305.831 8

Activity (Go SEA)

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