UCSF

ZINC36992652

Substance Information

In ZINC since Heavy atoms Benign functionality
November 18th, 2009 17 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) 3.47 5.92 -33.76 3 2 1 37 248.371 5
Mid Mid (pH 6-8) 3.47 4.7 -5.15 2 2 0 32 247.363 5

Activity (Go SEA)

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