UCSF

ZINC37078954

Substance Information

In ZINC since Heavy atoms Benign functionality
November 20th, 2009 10 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) 0.35 2.58 -89.52 5 3 2 56 145.25 5
Mid Mid (pH 6-8) -2.82 2.75 -29.05 5 3 1 56 144.242 5

Activity (Go SEA)

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