UCSF

ZINC40652883

Substance Information

In ZINC since Heavy atoms Benign functionality
April 10th, 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) 1.23 4.08 -38.01 3 4 1 46 214.333 6
Hi High (pH 8-9.5) 0.85 0.73 -29.44 3 4 1 49 214.333 7

Activity (Go SEA)

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