UCSF

ZINC41055518

Substance Information

In ZINC since Heavy atoms Benign functionality
April 15th, 2010 24 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) 5.72 10.45 -31.36 2 4 1 52 341.818 5
Mid Mid (pH 6-8) 5.72 10.09 -10.7 1 4 0 51 340.81 5

Activity (Go SEA)

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