UCSF

ZINC53817187

Substance Information

In ZINC since Heavy atoms Benign functionality
November 26th, 2010 18 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) 0.60 5.15 -47.64 3 3 1 50 263.748 4
Mid Mid (pH 6-8) 0.60 5.29 -35.65 3 3 1 49 263.748 4
Mid Mid (pH 6-8) 0.60 4.83 -5.68 2 3 0 48 262.74 4

Activity (Go SEA)

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