UCSF

ZINC20266465

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2008 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) 3.08 6.64 -55.35 3 2 1 31 338.244 5
Mid Mid (pH 6-8) 3.08 8.67 -140.64 4 2 2 32 339.252 5

Activity (Go SEA)

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