UCSF

ZINC26146300

Substance Information

In ZINC since Heavy atoms Benign functionality
February 4th, 2009 23 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) 1.58 5.44 -9.21 1 7 0 68 318.425 6
Mid Mid (pH 6-8) 1.58 7.57 -50.63 2 7 1 69 319.433 6

Activity (Go SEA)

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