UCSF

ZINC39293641

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 14 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) -0.06 3.13 -54.57 3 3 1 62 210.278 2
Mid Mid (pH 6-8) -0.06 2.73 -9.17 2 3 0 60 209.27 2

Activity (Go SEA)

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