UCSF

ZINC20064318

Substance Information

In ZINC since Heavy atoms Benign functionality
November 15th, 2008 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) -0.29 3.93 -114.85 0 7 -2 97 235.228 3
Mid Mid (pH 6-8) -1.02 4.09 -56.63 1 7 -1 100 236.236 3

Activity (Go SEA)

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