UCSF

ZINC48368159

Substance Information

In ZINC since Heavy atoms Benign functionality
September 15th, 2010 28 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) 1.56 7.59 -12.58 0 6 0 53 385.508 5
Mid Mid (pH 6-8) 1.56 9.59 -50.83 1 6 1 54 386.516 5

Activity (Go SEA)

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