UCSF

ZINC35633539

Substance Information

In ZINC since Heavy atoms Benign functionality
October 10th, 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) 0.84 1.05 -53.85 3 6 1 83 298.388 4
Hi High (pH 8-9.5) 0.84 -0.13 -13.03 2 6 0 79 297.38 4

Activity (Go SEA)

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