UCSF

ZINC39320559

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) 1.55 5.46 -32.23 3 2 1 30 191.298 2
Mid Mid (pH 6-8) 1.55 3.55 -40.56 3 2 1 31 191.298 2
Mid Mid (pH 6-8) 1.55 5.67 -119.85 4 2 2 32 192.306 2

Activity (Go SEA)

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