UCSF

ZINC39379200

Substance Information

In ZINC since Heavy atoms Benign functionality
February 16th, 2010 19 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) 3.94 4.45 -7.59 2 3 0 59 254.333 1
Mid Mid (pH 6-8) 3.94 5.33 -55.31 3 3 1 61 255.341 1

Activity (Go SEA)

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