UCSF

ZINC53127650

Substance Information

In ZINC since Heavy atoms Benign functionality
November 17th, 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) -0.14 -3.4 -38.67 7 6 1 120 258.342 5
Mid Mid (pH 6-8) -0.14 -3.73 -10.46 6 6 0 118 257.334 5

Activity (Go SEA)

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