UCSF

ZINC57279652

Substance Information

In ZINC since Heavy atoms Benign functionality
January 18th, 2011 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) -0.47 -2.51 -16.64 2 7 0 105 280.309 5
Mid Mid (pH 6-8) -0.02 -4.84 -49.24 1 7 -1 108 279.301 5

Activity (Go SEA)

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