UCSF

ZINC29818140

Substance Information

In ZINC since Heavy atoms Benign functionality
March 19th, 2009 20 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) -0.11 3.82 -53.81 1 6 1 72 298.388 5
Mid Mid (pH 6-8) -0.11 1.49 -14.18 0 6 0 71 297.38 5

Activity (Go SEA)

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