UCSF

ZINC39101760

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 15 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) 1.65 6.02 -38.97 1 4 1 34 215.317 3
Mid Mid (pH 6-8) 1.65 3.8 -4.98 0 4 0 33 214.309 3

Activity (Go SEA)

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