UCSF

ZINC26902709

Substance Information

In ZINC since Heavy atoms Benign functionality
February 11th, 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) 1.63 7.17 -43.77 2 5 1 60 294.4 5
Mid Mid (pH 6-8) 1.82 6.1 -32.2 1 5 0 66 293.392 5

Activity (Go SEA)

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