UCSF

ZINC44243145

Substance Information

In ZINC since Heavy atoms Benign functionality
May 23rd, 2010 14 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) 0.68 0.04 -12.91 1 5 0 83 276.115 3
Mid Mid (pH 6-8) 0.68 -0.36 -31.05 0 5 -1 85 275.107 3

Activity (Go SEA)

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