UCSF

ZINC44861737

Substance Information

In ZINC since Heavy atoms Benign functionality
July 23rd, 2010 15 No

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) -0.68 -1.75 -12.49 3 6 0 82 214.269 2
Mid Mid (pH 6-8) -0.68 0.61 -52.63 4 6 1 83 215.277 2

Activity (Go SEA)

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