UCSF

ZINC39296209

Substance Information

In ZINC since Heavy atoms Benign functionality
February 12th, 2010 16 No

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) 1.65 4.85 -18.36 2 5 0 75 257.702 2
Mid Mid (pH 6-8) 2.10 3.18 -55.48 1 5 -1 78 256.694 2

Activity (Go SEA)

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