UCSF

ZINC37005971

Substance Information

In ZINC since Heavy atoms Benign functionality
November 19th, 2009 20 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) -0.39 2.91 -114.06 0 7 -2 109 298.32 6
Mid Mid (pH 6-8) -0.39 2.88 -54.87 1 7 -1 107 299.328 6

Activity (Go SEA)

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