UCSF

ZINC39121564

Substance Information

In ZINC since Heavy atoms Benign functionality
February 5th, 2010 16 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) 2.58 8.33 -113.81 3 2 2 21 242.794 7
Mid Mid (pH 6-8) 2.58 6.25 -38.53 2 2 1 20 241.786 7

Activity (Go SEA)

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